MMsINC Database Search


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MMsINC code: MMs01238326

Type: Neutral
Formula: C₁₂H₇Cl₃FNO₂S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1F

InChI:

InChI=1/C12H7Cl3FNO2S/c13-7-2-4-11(10(16)5-7)17-20(18,19)12-6-8(14)1-3-9(12)15/h1-6,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.0417 kcal/mol

Physical Properties
Molecular Weight: 354.616 g/mol	logS: -5.54457	SlogP: 4.5867	Reactive groups: 0

Topological Properties
Globularity: 0.151934	Sterimol/B1: 3.33477	Sterimol/B2: 3.62475	Sterimol/B3: 4.30056
Sterimol/B4: 6.60949	Sterimol/L: 12.0767

Surface and Volume Properties
Accessible surface: 488.067	Positive charged surface: 131.099	Negative charged surface: 356.968	Volume: 258.25
Hydrophobic surface: 412.479	Hydrophilic surface: 75.588

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.