MMsINC Database Search


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MMsINC code: MMs01666985

Type: Neutral
Formula: C₁₂H₇Cl₃FNO₂S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1F

InChI:

InChI=1/C12H7Cl3FNO2S/c13-7-2-4-10(16)11(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)=39.3238 kcal/mol

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

Topological Properties
Globularity: 0.15443	Sterimol/B1: 3.38995	Sterimol/B2: 3.69192	Sterimol/B3: 4.53082
Sterimol/B4: 6.58508	Sterimol/L: 12.1172

Surface and Volume Properties
Accessible surface: 476.164	Positive charged surface: 137.24	Negative charged surface: 338.924	Volume: 256.875
Hydrophobic surface: 401.536	Hydrophilic surface: 74.628

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.