MMsINC Database Search


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MMsINC code: MMs03682040

Type: Neutral
Formula: C₁₃H₉ClF₃NO₂S₂

SMILES:

Clc1cc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)ccc1F

InChI:

InChI=1/C13H9ClF3NO2S2/c14-11-7-10(5-6-12(11)15)22(19,20)18-8-1-3-9(4-2-8)21-13(16)17/h1-7,13,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.9426 kcal/mol

Physical Properties
Molecular Weight: 367.799 g/mol	logS: -5.18126	SlogP: 5.0145	Reactive groups: 0

Topological Properties
Globularity: 0.17757	Sterimol/B1: 2.90887	Sterimol/B2: 3.0193	Sterimol/B3: 5.78059
Sterimol/B4: 6.28403	Sterimol/L: 14.5971

Surface and Volume Properties
Accessible surface: 513.976	Positive charged surface: 183.279	Negative charged surface: 330.697	Volume: 273
Hydrophobic surface: 323.047	Hydrophilic surface: 190.929

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.