MMsINC Database Search


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

MMsINC code: MMs01910499

Type: Neutral
Formula: C₁₉H₁₅FN₂O

SMILES:

Fc1ccc(cc1)C1CC(=O)c2c(n(nc2)-c2ccccc2)C1

InChI:

InChI=1/C19H15FN2O/c20-15-8-6-13(7-9-15)14-10-18-17(19(23)11-14)12-21-22(18)16-4-2-1-3-5-16/h1-9,12,14H,10-11H2/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.2855 kcal/mol

Physical Properties
Molecular Weight: 306.34 g/mol	logS: -4.06132	SlogP: 3.92407	Reactive groups: 0

Topological Properties
Globularity: 0.106389	Sterimol/B1: 2.42771	Sterimol/B2: 3.51474	Sterimol/B3: 3.86149
Sterimol/B4: 8.59303	Sterimol/L: 14.2611

Surface and Volume Properties
Accessible surface: 527.177	Positive charged surface: 286.412	Negative charged surface: 240.764	Volume: 289.25
Hydrophobic surface: 464.784	Hydrophilic surface: 62.393

Pharmacophoric Properties
Hydrogen bond donors: 0	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.