MMsINC Database Search


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MMsINC code: MMs03210941

Type: Neutral
Formula: C₁₃H₈Cl₂F₃NO₂S

SMILES:

Clc1cc(S(=O)(=O)Nc2ccc(cc2)C(F)(F)F)ccc1Cl

InChI:

InChI=1/C13H8Cl2F3NO2S/c14-11-6-5-10(7-12(11)15)22(20,21)19-9-3-1-8(2-4-9)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)=51.7861 kcal/mol

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

Topological Properties
Globularity: 0.200521	Sterimol/B1: 2.66721	Sterimol/B2: 4.87279	Sterimol/B3: 5.24316
Sterimol/B4: 5.57834	Sterimol/L: 13.8113

Surface and Volume Properties
Accessible surface: 508.551	Positive charged surface: 145.668	Negative charged surface: 362.883	Volume: 267.75
Hydrophobic surface: 325.228	Hydrophilic surface: 183.323

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.