MMsINC Database Search


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

MMsINC code: MMs02331180

Type: Neutral
Formula: C₁₉H₁₆FNO₂

SMILES:

Fc1ccccc1-c1nc2c(cccc2)c(C(OCC)=O)c1C

InChI:

InChI=1/C19H16FNO2/c1-3-23-19(22)17-12(2)18(13-8-4-6-10-15(13)20)21-16-11-7-5-9-14(16)17/h4-11H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9662 kcal/mol

Physical Properties
Molecular Weight: 309.34 g/mol	logS: -5.53299	SlogP: 4.52602	Reactive groups: 0

Topological Properties
Globularity: 0.0635764	Sterimol/B1: 2.13994	Sterimol/B2: 2.16433	Sterimol/B3: 4.6068
Sterimol/B4: 9.49606	Sterimol/L: 14.766

Surface and Volume Properties
Accessible surface: 546.569	Positive charged surface: 302.728	Negative charged surface: 237.048	Volume: 292.75
Hydrophobic surface: 479.892	Hydrophilic surface: 66.677

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

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.