MMsINC Database Search


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MMsINC code: MMs00667333

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

O1c2c(ccc3c2cccc3)C(=O)C=C1c1ccc(cc1)C

InChI:

InChI=1/C20H14O2/c1-13-6-8-15(9-7-13)19-12-18(21)17-11-10-14-4-2-3-5-16(14)20(17)22-19/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.8992 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -6.90029	SlogP: 4.76442	Reactive groups: 1

Topological Properties
Globularity: 0.00295216	Sterimol/B1: 2.09993	Sterimol/B2: 2.51325	Sterimol/B3: 4.18619
Sterimol/B4: 6.84693	Sterimol/L: 15.7751

Surface and Volume Properties
Accessible surface: 520.312	Positive charged surface: 259.848	Negative charged surface: 249.393	Volume: 281.875
Hydrophobic surface: 478.546	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.