MMsINC Database Search


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MMsINC code: MMs01227483

Type: Neutral
Formula: C₁₂H₁₀ClNO₂S

SMILES:

Clc1ccc(S(=O)(=O)Nc2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.2447 kcal/mol

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

Topological Properties
Globularity: 0.258837	Sterimol/B1: 3.52576	Sterimol/B2: 3.612	Sterimol/B3: 4.19166
Sterimol/B4: 6.33174	Sterimol/L: 11.7566

Surface and Volume Properties
Accessible surface: 449.554	Positive charged surface: 193.142	Negative charged surface: 256.413	Volume: 229.125
Hydrophobic surface: 368.401	Hydrophilic surface: 81.153

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.