MMsINC Database Search


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MMsINC code: MMs01248388

Type: Neutral
Formula: C₁₂H₉ClFNO₂S

SMILES:

Clc1ccc(S(=O)(=O)Nc2ccccc2F)cc1

InChI:

InChI=1/C12H9ClFNO2S/c13-9-5-7-10(8-6-9)18(16,17)15-12-4-2-1-3-11(12)14/h1-8,15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.0286 kcal/mol

Physical Properties
Molecular Weight: 285.726 g/mol	logS: -4.07599	SlogP: 3.2799	Reactive groups: 0

Topological Properties
Globularity: 0.251001	Sterimol/B1: 3.23156	Sterimol/B2: 3.79249	Sterimol/B3: 4.77642
Sterimol/B4: 5.92563	Sterimol/L: 11.6815

Surface and Volume Properties
Accessible surface: 450.008	Positive charged surface: 177.829	Negative charged surface: 272.179	Volume: 229.75
Hydrophobic surface: 370.188	Hydrophilic surface: 79.82

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.