MMsINC Database Search


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MMsINC code: MMs02668373

Type: Neutral
Formula: C₁₂H₉ClFNO₂S

SMILES:

Clc1cc(NS(=O)(=O)c2ccccc2)ccc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.5846 kcal/mol

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

Topological Properties
Globularity: 0.205324	Sterimol/B1: 2.4341	Sterimol/B2: 3.48885	Sterimol/B3: 3.84973
Sterimol/B4: 6.5079	Sterimol/L: 12.4799

Surface and Volume Properties
Accessible surface: 452.866	Positive charged surface: 189.564	Negative charged surface: 263.301	Volume: 232.375
Hydrophobic surface: 371.323	Hydrophilic surface: 81.543

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.