MMsINC Database Search


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MMsINC code: MMs02368513

Type: Neutral
Formula: C₁₉H₁₂O₃

SMILES:

O1c2c(cccc2)C(O)=C(c2c3c(ccc2)cccc3)C1=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.424 kcal/mol

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

Topological Properties
Globularity: 0.102945	Sterimol/B1: 2.85548	Sterimol/B2: 2.9153	Sterimol/B3: 4.94492
Sterimol/B4: 6.95971	Sterimol/L: 14.682

Surface and Volume Properties
Accessible surface: 496.102	Positive charged surface: 253.599	Negative charged surface: 233.967	Volume: 271.75
Hydrophobic surface: 414.304	Hydrophilic surface: 81.798

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.