MMsINC Database Search


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MMsINC code: MMs01269883

Type: Neutral
Formula: C₁₃H₉ClF₃NO₂S

SMILES:

Clc1ccc(NS(=O)(=O)c2cc(ccc2)C(F)(F)F)cc1

InChI:

InChI=1/C13H9ClF3NO2S/c14-10-4-6-11(7-5-10)18-21(19,20)12-3-1-2-9(8-12)13(15,16)17/h1-8,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.2859 kcal/mol

Physical Properties
Molecular Weight: 335.733 g/mol	logS: -4.83756	SlogP: 4.4711	Reactive groups: 0

Topological Properties
Globularity: 0.234382	Sterimol/B1: 2.93131	Sterimol/B2: 4.48593	Sterimol/B3: 5.11803
Sterimol/B4: 5.95368	Sterimol/L: 11.6021

Surface and Volume Properties
Accessible surface: 481.512	Positive charged surface: 165.646	Negative charged surface: 315.866	Volume: 254.5
Hydrophobic surface: 302.655	Hydrophilic surface: 178.857

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.