MMsINC Database Search


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MMsINC code: MMs03415941

Type: Neutral
Formula: C₁₉H₁₂O₂

SMILES:

o1c2cc(ccc2c2c1cccc2)C(=O)c1ccccc1

InChI:

InChI=1/C19H12O2/c20-19(13-6-2-1-3-7-13)14-10-11-16-15-8-4-5-9-17(15)21-18(16)12-14/h1-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.7691 kcal/mol

Physical Properties
Molecular Weight: 272.303 g/mol	logS: -6.7497	SlogP: 4.817	Reactive groups: 0

Topological Properties
Globularity: 0.0174009	Sterimol/B1: 2.7622	Sterimol/B2: 2.76709	Sterimol/B3: 2.91867
Sterimol/B4: 6.49034	Sterimol/L: 15.8841

Surface and Volume Properties
Accessible surface: 498.652	Positive charged surface: 249.992	Negative charged surface: 236.717	Volume: 263.625
Hydrophobic surface: 450.607	Hydrophilic surface: 48.045

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.