MMsINC Database Search


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

MMsINC code: MMs00608818

Type: Neutral
Formula: C₁₉H₁₉FN₂O₂

SMILES:

Fc1ccc(N2CC(CC2=O)C(=O)NC(C)c2ccccc2)cc1

InChI:

InChI=1/C19H19FN2O2/c1-13(14-5-3-2-4-6-14)21-19(24)15-11-18(23)22(12-15)17-9-7-16(20)8-10-17/h2-10,13,15H,11-12H2,1H3,(H,21,24)/t13-,15+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6623 kcal/mol

Physical Properties
Molecular Weight: 326.371 g/mol	logS: -3.83088	SlogP: 3.1515	Reactive groups: 0

Topological Properties
Globularity: 0.112699	Sterimol/B1: 2.08537	Sterimol/B2: 2.47689	Sterimol/B3: 6.01038
Sterimol/B4: 6.51061	Sterimol/L: 17.0825

Surface and Volume Properties
Accessible surface: 577.492	Positive charged surface: 322.957	Negative charged surface: 254.535	Volume: 313
Hydrophobic surface: 497.096	Hydrophilic surface: 80.396

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.