MMsINC Database Search


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

MMsINC code: MMs00984361

Type: Neutral
Formula: C₂₀H₁₉FN₂O

SMILES:

Fc1ccc(cc1)CNC(=O)C(n1cccc1)Cc1ccccc1

InChI:

InChI=1/C20H19FN2O/c21-18-10-8-17(9-11-18)15-22-20(24)19(23-12-4-5-13-23)14-16-6-2-1-3-7-16/h1-13,19H,14-15H2,(H,22,24)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.1159 kcal/mol

Physical Properties
Molecular Weight: 322.383 g/mol	logS: -3.78693	SlogP: 4.08927	Reactive groups: 0

Topological Properties
Globularity: 0.0986449	Sterimol/B1: 2.5455	Sterimol/B2: 3.8339	Sterimol/B3: 4.96882
Sterimol/B4: 5.89246	Sterimol/L: 16.8101

Surface and Volume Properties
Accessible surface: 585.777	Positive charged surface: 329.481	Negative charged surface: 256.296	Volume: 322.75
Hydrophobic surface: 534.914	Hydrophilic surface: 50.863

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.