MMsINC Database Search


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

MMsINC code: MMs00071587

Type: Neutral
Formula: C₂₀H₁₄F₃NO

SMILES:

FC(F)(F)c1cc(ccc1)C1CC(=O)Nc2c1ccc1c2cccc1

InChI:

InChI=1/C20H14F3NO/c21-20(22,23)14-6-3-5-13(10-14)17-11-18(25)24-19-15-7-2-1-4-12(15)8-9-16(17)19/h1-10,17H,11H2,(H,24,25)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.392 kcal/mol

Physical Properties
Molecular Weight: 341.332 g/mol	logS: -6.22965	SlogP: 5.6442	Reactive groups: 0

Topological Properties
Globularity: 0.164024	Sterimol/B1: 3.2598	Sterimol/B2: 3.77673	Sterimol/B3: 5.38749
Sterimol/B4: 6.29109	Sterimol/L: 14.8991

Surface and Volume Properties
Accessible surface: 538.087	Positive charged surface: 226.035	Negative charged surface: 300.98	Volume: 298.875
Hydrophobic surface: 381.512	Hydrophilic surface: 156.575

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.