MMsINC Database Search


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

MMsINC code: MMs00615021

Type: Neutral
Formula: C₁₇H₁₆F₃NO

SMILES:

FC(F)(F)C(=O)NC(c1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C17H16F3NO/c1-11-3-7-13(8-4-11)15(21-16(22)17(18,19)20)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.5839 kcal/mol

Physical Properties
Molecular Weight: 307.315 g/mol	logS: -5.32974	SlogP: 4.58674	Reactive groups: 0

Topological Properties
Globularity: 0.1868	Sterimol/B1: 2.30654	Sterimol/B2: 3.18351	Sterimol/B3: 4.475
Sterimol/B4: 9.50796	Sterimol/L: 13.996

Surface and Volume Properties
Accessible surface: 538.39	Positive charged surface: 252.201	Negative charged surface: 286.189	Volume: 278.125
Hydrophobic surface: 394.304	Hydrophilic surface: 144.086

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.