MMsINC Database Search


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MMsINC code: MMs03784419

Type: Neutral
Formula: C₁₃H₈Cl₂F₃NO₂S

SMILES:

Clc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1Cl

InChI:

InChI=1/C13H8Cl2F3NO2S/c14-10-6-5-8(7-11(10)15)19-22(20,21)12-4-2-1-3-9(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)=51.0126 kcal/mol

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

Topological Properties
Globularity: 0.31245	Sterimol/B1: 3.07767	Sterimol/B2: 3.1797	Sterimol/B3: 5.52696
Sterimol/B4: 5.84358	Sterimol/L: 11.9084

Surface and Volume Properties
Accessible surface: 487.486	Positive charged surface: 150.206	Negative charged surface: 337.28	Volume: 267.375
Hydrophobic surface: 352.68	Hydrophilic surface: 134.806

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.