MMsINC Database Search


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MMsINC code: MMs01223148

Type: Neutral
Formula: C₁₂H₉ClFNO₂S

SMILES:

Clc1ccccc1NS(=O)(=O)c1ccccc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.2742 kcal/mol

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

Topological Properties
Globularity: 0.158067	Sterimol/B1: 2.59166	Sterimol/B2: 4.06854	Sterimol/B3: 5.00002
Sterimol/B4: 5.54586	Sterimol/L: 11.9005

Surface and Volume Properties
Accessible surface: 428.177	Positive charged surface: 193.639	Negative charged surface: 234.538	Volume: 228
Hydrophobic surface: 348.525	Hydrophilic surface: 79.652

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.