MMsINC Database Search


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MMsINC code: MMs01373917

Type: Neutral
Formula: C₁₃H₈Cl₂F₃NO₂S

SMILES:

Clc1cc(NS(=O)(=O)c2cc(ccc2)C(F)(F)F)cc(Cl)c1

InChI:

InChI=1/C13H8Cl2F3NO2S/c14-9-5-10(15)7-11(6-9)19-22(20,21)12-3-1-2-8(4-12)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)=37.7905 kcal/mol

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

Topological Properties
Globularity: 0.254544	Sterimol/B1: 4.11459	Sterimol/B2: 4.46595	Sterimol/B3: 5.0539
Sterimol/B4: 5.43025	Sterimol/L: 12.148

Surface and Volume Properties
Accessible surface: 503.136	Positive charged surface: 140.869	Negative charged surface: 362.267	Volume: 267.25
Hydrophobic surface: 324.952	Hydrophilic surface: 178.184

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.