MMsINC Database Search


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MMsINC code: MMs00002924

Type: Neutral
Formula: C₁₉H₁₂O₂

SMILES:

O1c2c(ccc3c2cccc3)C(=O)C=C1c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.1498 kcal/mol

Physical Properties
Molecular Weight: 272.303 g/mol	logS: -6.42637	SlogP: 4.456	Reactive groups: 1

Topological Properties
Globularity: 6.03993e-07	Sterimol/B1: 2.10087	Sterimol/B2: 2.10131	Sterimol/B3: 3.91901
Sterimol/B4: 6.85638	Sterimol/L: 14.6312

Surface and Volume Properties
Accessible surface: 490.558	Positive charged surface: 233.927	Negative charged surface: 245.56	Volume: 264
Hydrophobic surface: 448.792	Hydrophilic surface: 41.766

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.