Compound 46
  CheckMol                        TMF02:r0:m0
MF=C8H15N7O2S3 MW=337.43
 20 20  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7359   -1.2938   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596    1.3175   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938    0.7596   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3175   -0.7359   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5876    0.0119   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5757   -1.4837   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8813    0.7715   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1751    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4689    0.7834   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7627    0.0356   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0564    0.7953   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.4214    0.1899   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    9.1989    2.3027   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   11.4185    1.3175   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.6588    2.6232   -0.0000 S   0 00  0  0  0  0  0  0  0  0  0  0
   12.9021    1.1751   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075   -0.1899   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9912   -0.3323   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6054   -1.4006   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  2  3  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13 01  0  1  0  0
 12 14 02  0  1  0  0
 13 15 02  0  1  0  0
 14 16 01  0  1  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 15 16 01  0  1  0  0
M  END

2D Structure

Famotidine

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Chemical Name - Famotidine
Mol Weight - 337.452
Smiles - NC(CCSCc1csc(N=C(N)N)n1)=NS(N)(=O)=O

Property Name	Property Value
Mol Name	Famotidine
Molweight	337.452
Monoisotopic Mass	337.044933
Clogp	-1.113
Clogs	-3.557
H Acceptors	9
H Donors	4
Total Surface Area	235.33
Relative Psa	0.68627
Polar Surface Area	237.75
Druglikeness	1.156
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.65796
Molecular Complexity	0.62054
Fragments	1
Non H Atoms	20
Non Ch Atoms	12
Electronegative Atoms	12
Rotatable Bonds	6
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3 Atoms	5
Symmetric Atoms	2
Amides	1
Aromatic Nitrogens	1
Basic Nitrogens	2
Smiles	NC(CCSCc1csc(N=C(N)N)n1)=NS(N)(=O)=O
InChIKey	InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
InChI	XUFQPHANEAPEMJ-UHFFFAOYSA-N

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1 — Famotidine | 2 — Famotidine