MMsINC Database Search


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MMsINC code: MMs02996634

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

O=Cc1ccccc1-c1cc(ccc1)-c1ccccc1C=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3401 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -6.24986	SlogP: 4.6456	Reactive groups: 1

Topological Properties
Globularity: 0.1093	Sterimol/B1: 2.59325	Sterimol/B2: 3.38106	Sterimol/B3: 4.53112
Sterimol/B4: 6.771	Sterimol/L: 14.5586

Surface and Volume Properties
Accessible surface: 520.763	Positive charged surface: 269.502	Negative charged surface: 243.785	Volume: 285.75
Hydrophobic surface: 410.556	Hydrophilic surface: 110.207

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.