MMsINC Database Search


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

MMsINC code: MMs01085357

Type: Neutral
Formula: C₂₀H₂₀F₆N₂O

SMILES:

FC(F)(F)C(NC(=O)N(Cc1ccccc1)Cc1ccccc1)(CC)C(F)(F)F

InChI:

InChI=1/C20H20F6N2O/c1-2-18(19(21,22)23,20(24,25)26)27-17(29)28(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5433 kcal/mol

Physical Properties
Molecular Weight: 418.381 g/mol	logS: -5.7291	SlogP: 7.0444	Reactive groups: 0

Topological Properties
Globularity: 0.147725	Sterimol/B1: 2.32953	Sterimol/B2: 2.80491	Sterimol/B3: 4.85458
Sterimol/B4: 10.3846	Sterimol/L: 13.8264

Surface and Volume Properties
Accessible surface: 580.194	Positive charged surface: 272.252	Negative charged surface: 307.943	Volume: 352.75
Hydrophobic surface: 408.706	Hydrophilic surface: 171.488

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.