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Compound 58
  CheckMol                        TMF02:r0:m0
MF=C14H18N4O3 MW=290.32
 21 22  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3079    0.7659   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2843    0.7541   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3197    2.2741   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6158    0.0353   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0353    3.0400   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276    3.0400   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6276   -1.4493   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9237    0.7895   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2490    2.2977   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9355    2.3095   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3433   -2.1916   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2434    3.0754   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5513    2.3448   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5631    0.8602   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8592    3.1107   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8710    0.1296   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2788    0.1178   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1672    2.3802   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1789    0.8837   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.4868    0.1532   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  4  6  1  0  0  0  0
  4  7 01  0  1  0  0
  5  8  1  0  0  0  0
  5  9 02  0  1  0  0
  6 10  1  0  0  0  0
  7 11 02  0  1  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15 02  0  1  0  0
 14 16 01  0  1  0  0
 15 17 01  0  1  0  0
 15 18  1  0  0  0  0
 16 19 02  0  1  0  0
 17 20 02  0  1  0  0
 20 21  1  0  0  0  0
  9 11 01  0  1  0  0
 19 20 01  0  1  0  0
M  END

Trimethoprim

₹ 0.00 0.00

Chemical Name - Trimethoprim
Mol Weight - 290.322
Smiles - COc1cc(Cc2c(N)nc(N)nc2)cc(OC)c1OC

Property Name	Property Value
Mol Name	Trimethoprim
Molweight	290.322
Monoisotopic Mass	290.137891
Clogp	1.0686
Clogs	-3.325
H Acceptors	7
H Donors	2
Total Surface Area	228.12
Relative Psa	0.36156
Polar Surface Area	105.51
Druglikeness	-1.7142
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.44988
Molecular Complexity	0.73028
Fragments	1
Non H Atoms	21
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	7
Symmetric Atoms	4
Aromatic Nitrogens	2
Basic Nitrogens	2
Smiles	COc1cc(Cc2c(N)nc(N)nc2)cc(OC)c1OC
InChIKey	InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
InChI	IEDVJHCEMCRBQM-UHFFFAOYSA-N

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Trimethoprim