MMsINC Database Search


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MMsINC code: MMs00883558

Type: Neutral
Formula: C₁₀H₈ClNO₂S₂

SMILES:

Clc1sc(S(=O)(=O)Nc2ccccc2)cc1

InChI:

InChI=1/C10H8ClNO2S2/c11-9-6-7-10(15-9)16(13,14)12-8-4-2-1-3-5-8/h1-7,12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.1153 kcal/mol

Physical Properties
Molecular Weight: 273.764 g/mol	logS: -4.05728	SlogP: 3.2023	Reactive groups: 0

Topological Properties
Globularity: 0.271586	Sterimol/B1: 3.03474	Sterimol/B2: 3.53827	Sterimol/B3: 4.05448
Sterimol/B4: 6.25507	Sterimol/L: 11.8967

Surface and Volume Properties
Accessible surface: 436.715	Positive charged surface: 161.984	Negative charged surface: 274.731	Volume: 215.375
Hydrophobic surface: 352.935	Hydrophilic surface: 83.78

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.