MMsINC Database Search


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MMsINC code: MMs01590106

Type: Neutral
Formula: C₁₂H₉ClFNO₂S

SMILES:

Clc1ccccc1S(=O)(=O)Nc1ccccc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.6293 kcal/mol

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

Topological Properties
Globularity: 0.150305	Sterimol/B1: 2.46061	Sterimol/B2: 3.61896	Sterimol/B3: 4.24364
Sterimol/B4: 6.66465	Sterimol/L: 12.0928

Surface and Volume Properties
Accessible surface: 436.907	Positive charged surface: 176.711	Negative charged surface: 260.196	Volume: 229.5
Hydrophobic surface: 363.714	Hydrophilic surface: 73.193

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.