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MMsINC code: MMs02228182

Type: Neutral
Formula: C₇H₈N₂O₂S₃

SMILES:

S(=O)(=O)(N)c1ccc(NC(S)=S)cc1

InChI:

InChI=1/C7H8N2O2S3/c8-14(10,11)6-3-1-5(2-4-6)9-7(12)13/h1-4H,(H2,8,10,11)(H2,9,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.7749 kcal/mol

Physical Properties
Molecular Weight: 248.351 g/mol	logS: -4.09296	SlogP: 0.9606	Reactive groups: 0

Topological Properties
Globularity: 0.0576832	Sterimol/B1: 2.66951	Sterimol/B2: 2.94287	Sterimol/B3: 3.6866
Sterimol/B4: 4.82781	Sterimol/L: 13.6183

Surface and Volume Properties
Accessible surface: 414.212	Positive charged surface: 170.277	Negative charged surface: 243.935	Volume: 189.875
Hydrophobic surface: 141.051	Hydrophilic surface: 273.161

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02228183
NCID-ZINC01567065