MMsINC Database Search


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MMsINC code: MMs02368511

Type: Neutral
Formula: C₁₉H₁₂O₃

SMILES:

O1c2c(ccc3c2cccc3)C(O)=C(c2ccccc2)C1=O

InChI:

InChI=1/C19H12O3/c20-17-15-11-10-12-6-4-5-9-14(12)18(15)22-19(21)16(17)13-7-2-1-3-8-13/h1-11,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.8649 kcal/mol

Physical Properties
Molecular Weight: 288.302 g/mol	logS: -6.10045	SlogP: 4.1851	Reactive groups: 0

Topological Properties
Globularity: 0.0365447	Sterimol/B1: 3.26131	Sterimol/B2: 3.26405	Sterimol/B3: 4.00644
Sterimol/B4: 4.69149	Sterimol/L: 16.352

Surface and Volume Properties
Accessible surface: 502.288	Positive charged surface: 259.681	Negative charged surface: 232.096	Volume: 270.5
Hydrophobic surface: 424.511	Hydrophilic surface: 77.777

Pharmacophoric Properties
Hydrogen bond donors: 1	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.