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Compound 83
  CheckMol                        TMF02:r0:m0
MF=C25H35NO5 MW=429.56
 31 32  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3059    0.7530   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6118    0.0235   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3177    2.2589   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9177    0.7765   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6236    3.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0353    3.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2236    0.0471   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6353    4.5177   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5177   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5295    0.8000   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9412    5.2707   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3530    5.2824   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8354    0.0706   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2471    4.5295   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3647    6.7883   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1413    0.8235   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6706    7.5413   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4472    0.0941   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1531    2.3294   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7531    0.8471   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4590   -1.3883   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8707    3.0942   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0590    0.1176   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -14.3649    0.8824   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -13.0708   -1.3647   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -15.6708    0.1529   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -14.3767   -2.0941   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -15.6826   -1.3294   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -16.9885   -2.0589   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0002   -3.5412   -0.0000 C   0  0  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
  3  5  1  0  0  0  0
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8  1  0  0  0  0
  6  9 01  0  1  0  0
  7 10 02  0  1  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13 02  0  1  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25 02  0  1  0  0
 24 26 01  0  1  0  0
 25 27 01  0  1  0  0
 26 28 02  0  1  0  0
 27 29 02  0  1  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 10 13 01  0  1  0  0
 28 29 01  0  1  0  0
M  END

Mebeverine

₹ 0.00 0.00

Chemical Name - Mebeverine
Mol Weight - 429.555
Smiles - CCN(CCCCOC(c(cc1)cc(OC)c1OC)=O)C(C)Cc(cc1)ccc1OC

Property Name	Property Value
Mol Name	Mebeverine
Molweight	429.555
Monoisotopic Mass	429.251524
Clogp	4.585
Clogs	-3.887
H Acceptors	6
Total Surface Area	357.43
Relative Psa	0.15832
Polar Surface Area	57.23
Druglikeness	0.77255
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.67742
Molecular Flexibility	0.60004
Molecular Complexity	0.73028
Fragments	1
Non H Atoms	31
Non Ch Atoms	6
Electronegative Atoms	6
Stereo Centers	1
Rotatable Bonds	14
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	17
Symmetric Atoms	2
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CCN(CCCCOC(c(cc1)cc(OC)c1OC)=O)C(C)Cc(cc1)ccc1OC
InChIKey
InChI	C25H35NO5

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Mebeverine