MMsINC Database Search


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

MMsINC code: MMs01252925

Type: Neutral
Formula: C₁₈H₁₄FNO₂

SMILES:

Fc1ccccc1COC(=O)c1cc(nc2c1cccc2)C

InChI:

InChI=1/C18H14FNO2/c1-12-10-15(14-7-3-5-9-17(14)20-12)18(21)22-11-13-6-2-4-8-16(13)19/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1111 kcal/mol

Physical Properties
Molecular Weight: 295.313 g/mol	logS: -4.73142	SlogP: 4.30572	Reactive groups: 0

Topological Properties
Globularity: 0.00667703	Sterimol/B1: 1.969	Sterimol/B2: 2.42889	Sterimol/B3: 2.50523
Sterimol/B4: 8.5833	Sterimol/L: 16.0683

Surface and Volume Properties
Accessible surface: 531.545	Positive charged surface: 285.682	Negative charged surface: 240.821	Volume: 278.125
Hydrophobic surface: 481.942	Hydrophilic surface: 49.603

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.