MMsINC Database Search


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MMsINC code: MMs00092246

Type: Neutral
Formula: C₁₁H₈ClNO₃S₂

SMILES:

Clc1sc(S(=O)(=O)NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C11H8ClNO3S2/c12-9-6-7-10(17-9)18(15,16)13-11(14)8-4-2-1-3-5-8/h1-7H,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.6106 kcal/mol

Physical Properties
Molecular Weight: 301.774 g/mol	logS: -4.58852	SlogP: 2.5202	Reactive groups: 0

Topological Properties
Globularity: 0.106453	Sterimol/B1: 2.90493	Sterimol/B2: 4.71183	Sterimol/B3: 5.02835
Sterimol/B4: 5.0454	Sterimol/L: 13.9046

Surface and Volume Properties
Accessible surface: 472.187	Positive charged surface: 164.399	Negative charged surface: 307.787	Volume: 234.125
Hydrophobic surface: 374.97	Hydrophilic surface: 97.217

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.