MMsINC Database Search


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MMsINC code: MMs02940059

Type: Neutral
Formula: C₁₃H₈Cl₂F₃NO₂S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)C(F)(F)F

InChI:

InChI=1/C13H8Cl2F3NO2S/c14-9-3-6-11(15)12(7-9)22(20,21)19-10-4-1-8(2-5-10)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)=43.2311 kcal/mol

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

Topological Properties
Globularity: 0.247459	Sterimol/B1: 2.58583	Sterimol/B2: 4.49676	Sterimol/B3: 5.42706
Sterimol/B4: 5.61451	Sterimol/L: 12.2654

Surface and Volume Properties
Accessible surface: 498.056	Positive charged surface: 141.665	Negative charged surface: 356.391	Volume: 268.375
Hydrophobic surface: 323.557	Hydrophilic surface: 174.499

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.