MMsINC Database Search


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MMsINC code: MMs03926221

Type: Neutral
Formula: C₁₃H₇Cl₃F₃NO₂S

SMILES:

Clc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1Cl

InChI:

InChI=1/C13H7Cl3F3NO2S/c14-7-1-4-12(9(5-7)13(17,18)19)20-23(21,22)8-2-3-10(15)11(16)6-8/h1-6,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.5261 kcal/mol

Physical Properties
Molecular Weight: 404.623 g/mol	logS: -6.30614	SlogP: 5.7779	Reactive groups: 0

Topological Properties
Globularity: 0.31364	Sterimol/B1: 3.29659	Sterimol/B2: 4.31423	Sterimol/B3: 4.7786
Sterimol/B4: 6.51997	Sterimol/L: 12.4623

Surface and Volume Properties
Accessible surface: 517.703	Positive charged surface: 118.005	Negative charged surface: 399.698	Volume: 281.625
Hydrophobic surface: 359.254	Hydrophilic surface: 158.449

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.