MMsINC Database Search


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MMsINC code: MMs01231096

Type: Neutral
Formula: C₁₂H₁₀ClNO₂S

SMILES:

Clc1ccc(NS(=O)(=O)c2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.9849 kcal/mol

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

Topological Properties
Globularity: 0.199932	Sterimol/B1: 3.15147	Sterimol/B2: 3.34756	Sterimol/B3: 3.77854
Sterimol/B4: 6.5406	Sterimol/L: 12.1569

Surface and Volume Properties
Accessible surface: 448.293	Positive charged surface: 196.385	Negative charged surface: 251.908	Volume: 227.625
Hydrophobic surface: 366.75	Hydrophilic surface: 81.543

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.