MMsINC Database Search


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MMsINC code: MMs02789647

Type: Neutral
Formula: C₁₃H₈Cl₂F₃NO₂S

SMILES:

Clc1cc(C(F)(F)F)c(NS(=O)(=O)c2ccc(Cl)cc2)cc1

InChI:

InChI=1/C13H8Cl2F3NO2S/c14-8-1-4-10(5-2-8)22(20,21)19-12-6-3-9(15)7-11(12)13(16,17)18/h1-7,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.1246 kcal/mol

Physical Properties
Molecular Weight: 370.178 g/mol	logS: -5.57185	SlogP: 5.1245	Reactive groups: 0

Topological Properties
Globularity: 0.312989	Sterimol/B1: 3.39142	Sterimol/B2: 4.37112	Sterimol/B3: 4.76143
Sterimol/B4: 5.98301	Sterimol/L: 12.4819

Surface and Volume Properties
Accessible surface: 499.631	Positive charged surface: 133.057	Negative charged surface: 366.574	Volume: 266.5
Hydrophobic surface: 341.003	Hydrophilic surface: 158.628

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.