MMsINC Database Search


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MMsINC code: MMs00845764

Type: Neutral
Formula: C₁₂H₈Cl₂FNO₂S

SMILES:

Clc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.6699 kcal/mol

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

Topological Properties
Globularity: 0.269968	Sterimol/B1: 3.54756	Sterimol/B2: 4.22397	Sterimol/B3: 4.8587
Sterimol/B4: 5.24697	Sterimol/L: 11.1354

Surface and Volume Properties
Accessible surface: 468.442	Positive charged surface: 150.011	Negative charged surface: 318.43	Volume: 245
Hydrophobic surface: 391.831	Hydrophilic surface: 76.611

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.