MMsINC Database Search


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

MMsINC code: MMs00271869

Type: Neutral
Formula: C₁₈H₁₇F₃N₂O₂

SMILES:

FC(F)(F)C(=O)NC(CC(=O)Nc1ccccc1C)c1ccccc1

InChI:

InChI=1/C18H17F3N2O2/c1-12-7-5-6-10-14(12)22-16(24)11-15(13-8-3-2-4-9-13)23-17(25)18(19,20)21/h2-10,15H,11H2,1H3,(H,22,24)(H,23,25)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.921 kcal/mol

Physical Properties
Molecular Weight: 350.34 g/mol	logS: -4.65282	SlogP: 4.25882	Reactive groups: 0

Topological Properties
Globularity: 0.0595215	Sterimol/B1: 1.97044	Sterimol/B2: 3.2618	Sterimol/B3: 3.91704
Sterimol/B4: 8.83247	Sterimol/L: 16.001

Surface and Volume Properties
Accessible surface: 571.936	Positive charged surface: 279.47	Negative charged surface: 292.466	Volume: 308.875
Hydrophobic surface: 412.442	Hydrophilic surface: 159.494

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.