MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00194503

Type: Neutral
Formula: C₁₂H₇Cl₃FNO₂S

SMILES:

Clc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.085 kcal/mol

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

Topological Properties
Globularity: 0.3316	Sterimol/B1: 2.96616	Sterimol/B2: 3.73065	Sterimol/B3: 5.61753
Sterimol/B4: 6.24094	Sterimol/L: 10.9656

Surface and Volume Properties
Accessible surface: 486.938	Positive charged surface: 141.047	Negative charged surface: 345.891	Volume: 259.25
Hydrophobic surface: 414.849	Hydrophilic surface: 72.089

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.