MMsINC Database Search


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MMsINC code: MMs01666439

Type: Neutral
Formula: C₁₂H₇Cl₃FNO₂S

SMILES:

Clc1cccc(Cl)c1S(=O)(=O)Nc1ccc(Cl)cc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.5769 kcal/mol

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

Topological Properties
Globularity: 0.172915	Sterimol/B1: 3.04465	Sterimol/B2: 3.69414	Sterimol/B3: 4.06333
Sterimol/B4: 6.54754	Sterimol/L: 12.4016

Surface and Volume Properties
Accessible surface: 460.246	Positive charged surface: 159.772	Negative charged surface: 300.474	Volume: 259
Hydrophobic surface: 392.984	Hydrophilic surface: 67.262

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.