MMsINC Database Search


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

MMsINC code: MMs02581727

Type: Neutral
Formula: C₁₅H₁₀ClF₆NO₂S

SMILES:

Clc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccccc2)cc1C(F)(F)F

InChI:

InChI=1/C15H10ClF6NO2S/c16-13-7-6-11(8-12(13)15(20,21)22)26(24,25)23(9-14(17,18)19)10-4-2-1-3-5-10/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.989 kcal/mol

Physical Properties
Molecular Weight: 417.757 g/mol	logS: -5.99613	SlogP: 5.8478	Reactive groups: 0

Topological Properties
Globularity: 0.165145	Sterimol/B1: 2.51329	Sterimol/B2: 3.45867	Sterimol/B3: 4.59905
Sterimol/B4: 7.9776	Sterimol/L: 13.1333

Surface and Volume Properties
Accessible surface: 536.628	Positive charged surface: 163.745	Negative charged surface: 372.883	Volume: 300.75
Hydrophobic surface: 314.325	Hydrophilic surface: 222.303

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.