MMsINC Database Search


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

MMsINC code: MMs00079310

Type: Neutral
Formula: C₁₉H₁₄FNO

SMILES:

Fc1ccccc1C1CC(=O)Nc2c1ccc1c2cccc1

InChI:

InChI=1/C19H14FNO/c20-17-8-4-3-7-14(17)16-11-18(22)21-19-13-6-2-1-5-12(13)9-10-15(16)19/h1-10,16H,11H2,(H,21,22)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3657 kcal/mol

Physical Properties
Molecular Weight: 291.325 g/mol	logS: -5.46808	SlogP: 4.453	Reactive groups: 0

Topological Properties
Globularity: 0.202353	Sterimol/B1: 3.46494	Sterimol/B2: 4.37154	Sterimol/B3: 5.23177
Sterimol/B4: 5.43789	Sterimol/L: 13.7321

Surface and Volume Properties
Accessible surface: 495.526	Positive charged surface: 244.94	Negative charged surface: 239.515	Volume: 273.75
Hydrophobic surface: 442.092	Hydrophilic surface: 53.434

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.