MMsINC Database Search


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MMsINC code: MMs01667114

Type: Neutral
Formula: C₁₂H₈Cl₂FNO₂S

SMILES:

Clc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.1614 kcal/mol

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

Topological Properties
Globularity: 0.155346	Sterimol/B1: 2.59756	Sterimol/B2: 4.78815	Sterimol/B3: 5.13429
Sterimol/B4: 5.54813	Sterimol/L: 11.983

Surface and Volume Properties
Accessible surface: 453.836	Positive charged surface: 171.164	Negative charged surface: 282.672	Volume: 244.125
Hydrophobic surface: 374.185	Hydrophilic surface: 79.651

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.