MMsINC Database Search


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MMsINC code: MMs03672403

Type: Neutral
Formula: C₁₂H₈Cl₂FNO₂S

SMILES:

Clc1cccc(Cl)c1NS(=O)(=O)c1ccc(F)cc1

InChI:

InChI=1/C12H8Cl2FNO2S/c13-10-2-1-3-11(14)12(10)16-19(17,18)9-6-4-8(15)5-7-9/h1-7,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.2578 kcal/mol

Physical Properties
Molecular Weight: 320.171 g/mol	logS: -4.81028	SlogP: 3.9333	Reactive groups: 0

Topological Properties
Globularity: 0.199969	Sterimol/B1: 2.57246	Sterimol/B2: 3.67208	Sterimol/B3: 4.54075
Sterimol/B4: 6.40031	Sterimol/L: 11.6045

Surface and Volume Properties
Accessible surface: 445.545	Positive charged surface: 168.948	Negative charged surface: 276.596	Volume: 244.625
Hydrophobic surface: 379.883	Hydrophilic surface: 65.662

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.