MMsINC Database Search


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

MMsINC code: MMs02295217

Type: Neutral
Formula: C₂₀H₁₃FO₂

SMILES:

Fc1ccccc1C(=O)c1ccccc1C(=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.8458 kcal/mol

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

Topological Properties
Globularity: 0.229959	Sterimol/B1: 2.99917	Sterimol/B2: 3.59323	Sterimol/B3: 4.32926
Sterimol/B4: 8.37897	Sterimol/L: 12.5134

Surface and Volume Properties
Accessible surface: 516.9	Positive charged surface: 260.814	Negative charged surface: 256.086	Volume: 288.75
Hydrophobic surface: 476.098	Hydrophilic surface: 40.802

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.