MMsINC Database Search


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MMsINC code: MMs01623735

Type: Neutral
Formula: C₁₂H₇Cl₂F₂NO₂S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)c(F)cc1

InChI:

InChI=1/C12H7Cl2F2NO2S/c13-7-1-3-9(14)12(5-7)20(18,19)17-8-2-4-10(15)11(16)6-8/h1-6,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.351 kcal/mol

Physical Properties
Molecular Weight: 338.161 g/mol	logS: -5.10526	SlogP: 4.0724	Reactive groups: 0

Topological Properties
Globularity: 0.328135	Sterimol/B1: 2.86935	Sterimol/B2: 3.92617	Sterimol/B3: 5.59465
Sterimol/B4: 6.01442	Sterimol/L: 10.9602

Surface and Volume Properties
Accessible surface: 468.633	Positive charged surface: 150.506	Negative charged surface: 318.127	Volume: 247
Hydrophobic surface: 396.544	Hydrophilic surface: 72.089

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.