MMsINC Database Search


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MMsINC code: MMs00075229

Type: Neutral
Formula: C₁₂H₁₀ClNO₂S

SMILES:

Clc1ccccc1NS(=O)(=O)c1ccccc1

InChI:

InChI=1/C12H10ClNO2S/c13-11-8-4-5-9-12(11)14-17(15,16)10-6-2-1-3-7-10/h1-9,14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.9737 kcal/mol

Physical Properties
Molecular Weight: 267.736 g/mol	logS: -3.78101	SlogP: 3.1408	Reactive groups: 0

Topological Properties
Globularity: 0.261351	Sterimol/B1: 2.83087	Sterimol/B2: 3.92837	Sterimol/B3: 4.87085
Sterimol/B4: 6.28598	Sterimol/L: 11.1062

Surface and Volume Properties
Accessible surface: 437.083	Positive charged surface: 185.344	Negative charged surface: 251.739	Volume: 227
Hydrophobic surface: 361.167	Hydrophilic surface: 75.916

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.