MMsINC Database Search


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MMsINC code: MMs01687762

Type: Neutral
Formula: C₁₂H₇Cl₃FNO₂S

SMILES:

Clc1c(S(=O)(=O)Nc2ccc(F)cc2Cl)cccc1Cl

InChI:

InChI=1/C12H7Cl3FNO2S/c13-8-2-1-3-11(12(8)15)20(18,19)17-10-5-4-7(16)6-9(10)14/h1-6,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.2488 kcal/mol

Physical Properties
Molecular Weight: 354.616 g/mol	logS: -5.54457	SlogP: 4.5867	Reactive groups: 0

Topological Properties
Globularity: 0.161714	Sterimol/B1: 2.92331	Sterimol/B2: 3.48452	Sterimol/B3: 5.4619
Sterimol/B4: 6.20439	Sterimol/L: 12.331

Surface and Volume Properties
Accessible surface: 473.878	Positive charged surface: 134.252	Negative charged surface: 339.627	Volume: 258.75
Hydrophobic surface: 406.679	Hydrophilic surface: 67.199

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.