MMsINC Database Search


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MMsINC code: MMs00008419

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

O=C(c1ccccc1C(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H14O2/c21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)16-11-5-2-6-12-16/h1-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.409 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -5.5305	SlogP: 4.1486	Reactive groups: 0

Topological Properties
Globularity: 0.226137	Sterimol/B1: 2.98292	Sterimol/B2: 3.58167	Sterimol/B3: 4.34162
Sterimol/B4: 8.37728	Sterimol/L: 12.5101

Surface and Volume Properties
Accessible surface: 514.202	Positive charged surface: 271.342	Negative charged surface: 242.86	Volume: 285.875
Hydrophobic surface: 471.083	Hydrophilic surface: 43.119

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

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Ions/Tautomers related molecules: no related molecules available.