MMsINC Database Search


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MMsINC code: MMs02711970

Type: Neutral
Formula: C₁₂H₇Cl₂F₂NO₂S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)Nc1c(F)cccc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.1774 kcal/mol

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

Topological Properties
Globularity: 0.24418	Sterimol/B1: 3.1745	Sterimol/B2: 3.66303	Sterimol/B3: 4.79383
Sterimol/B4: 6.42618	Sterimol/L: 11.4778

Surface and Volume Properties
Accessible surface: 451.77	Positive charged surface: 155.591	Negative charged surface: 296.179	Volume: 244.375
Hydrophobic surface: 379.222	Hydrophilic surface: 72.548

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.