MMsINC Database Search


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MMsINC code: MMs01228541

Type: Neutral
Formula: C₁₂H₉ClFNO₂S

SMILES:

Clc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.0479 kcal/mol

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

Topological Properties
Globularity: 0.256809	Sterimol/B1: 2.42648	Sterimol/B2: 4.69697	Sterimol/B3: 5.19965
Sterimol/B4: 5.36923	Sterimol/L: 11.9322

Surface and Volume Properties
Accessible surface: 451.668	Positive charged surface: 181.572	Negative charged surface: 270.096	Volume: 232
Hydrophobic surface: 371.057	Hydrophilic surface: 80.611

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.