MMsINC Database Search


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

MMsINC code: MMs02295216

Type: Neutral
Formula: C₂₀H₁₃FO₂

SMILES:

Fc1ccc(cc1)C(=O)c1ccccc1C(=O)c1ccccc1

InChI:

InChI=1/C20H13FO2/c21-16-12-10-15(11-13-16)20(23)18-9-5-4-8-17(18)19(22)14-6-2-1-3-7-14/h1-13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6958 kcal/mol

Physical Properties
Molecular Weight: 304.32 g/mol	logS: -5.82548	SlogP: 4.2877	Reactive groups: 0

Topological Properties
Globularity: 0.225178	Sterimol/B1: 2.95954	Sterimol/B2: 3.592	Sterimol/B3: 4.33287
Sterimol/B4: 8.4934	Sterimol/L: 12.7313

Surface and Volume Properties
Accessible surface: 520.508	Positive charged surface: 259.464	Negative charged surface: 261.044	Volume: 289.625
Hydrophobic surface: 477.39	Hydrophilic surface: 43.118

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.