MMsINC Database Search


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MMsINC code: MMs01702207

Type: Neutral
Formula: C₁₂H₆ClF₄NO₂S

SMILES:

Clc1cc(F)c(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1

InChI:

InChI=1/C12H6ClF4NO2S/c13-6-1-4-10(8(15)5-6)21(19,20)18-9-3-2-7(14)11(16)12(9)17/h1-5,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.5593 kcal/mol

Physical Properties
Molecular Weight: 339.696 g/mol	logS: -4.96093	SlogP: 3.6972	Reactive groups: 0

Topological Properties
Globularity: 0.149102	Sterimol/B1: 3.56773	Sterimol/B2: 3.71271	Sterimol/B3: 4.65774
Sterimol/B4: 5.30947	Sterimol/L: 12.1644

Surface and Volume Properties
Accessible surface: 456.384	Positive charged surface: 154.265	Negative charged surface: 302.119	Volume: 236.75
Hydrophobic surface: 374.955	Hydrophilic surface: 81.429

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.