Compound 140
  CheckMol                        TMF02:r0:m0
MF=C24H26N6O3 MW=446.51
 33 36  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8980    1.2289   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3986    1.0871   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2954    2.6113   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.1580    2.9303   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.0516    3.9229   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2997    4.4310   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2568    1.9378   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0591    5.0454   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.5522    4.0883   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5877    5.1990   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6747    2.4104   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4104    5.5889   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7177    2.6113   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0528    4.2537   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759    6.7114   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7736    1.4179   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9701    3.8874   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8638    7.4676   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1915    1.8905   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.3880    4.3601   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4869    3.3675   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.9048    3.8402   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.2002    5.3171   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0037    2.8476   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.0777    6.3333   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.6181    5.7898   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.4216    3.3203   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.6007    6.0379   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    7.2195    7.8339   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   10.7170    4.7972   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.8445    7.3495   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.8370    8.4602   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 01  0  1  0  0
  5  8  1  0  0  0  0
  6  9 01  0  1  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17 02  0  1  0  0
 12 18 01  0  1  0  0
 16 19  1  0  0  0  0
 17 20 01  0  1  0  0
 18 21 02  0  1  0  0
 20 22 02  0  1  0  0
 22 23  1  0  0  0  0
 23 24 02  0  1  0  0
 23 25 01  0  1  0  0
 24 26  1  0  0  0  0
 24 27 01  0  1  0  0
 25 28 02  0  1  0  0
 26 29 01  0  1  0  0
 26 30 02  0  1  0  0
 27 31 02  0  1  0  0
 29 32 02  0  1  0  0
 30 33 01  0  1  0  0
  7  9 02  0  1  0  0
 21 22 01  0  1  0  0
 28 31 01  0  1  0  0
 32 33 01  0  1  0  0
M  END

2D Structure

Olmesartan

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Chemical Name - Olmesartan
Mol Weight - 446.509
Smiles - CCCc1nc(C(C)(C)O)c(C(O)=O)n1Cc(cc1)ccc1-c(cccc1)c1-c1n[nH]nn1

Property Name	Property Value
Mol Name	Olmesartan
Molweight	446.509
Monoisotopic Mass	446.206639
Clogp	3.2081
Clogs	-4.739
H Acceptors	9
H Donors	3
Total Surface Area	345.27
Relative Psa	0.30116
Polar Surface Area	129.81
Druglikeness	-3.2961
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.45455
Molecular Flexibility	0.48442
Molecular Complexity	0.90925
Fragments	1
Non H Atoms	33
Non Ch Atoms	9
Electronegative Atoms	9
Rotatable Bonds	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3 Atoms	9
Symmetric Atoms	3
Aromatic Nitrogens	6
Acidic Oxygens	1
Smiles	CCCc1nc(C(C)(C)O)c(C(O)=O)n1Cc(cc1)ccc1-c(cccc1)c1-c1n[nH]nn1
InChIKey	InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)
InChI	VTRAEEWXHOVJFV-UHFFFAOYSA-N

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1 — Olmesartan | 2 — Olmesartan