MMsINC Database Search


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MMsINC code: MMs02859156

Type: Neutral
Formula: C₂₀H₁₆O

SMILES:

OCCc1c2c(c3c(cc2)cccc3)cc2c1cccc2

InChI:

InChI=1/C20H16O/c21-12-11-19-17-8-4-2-6-15(17)13-20-16-7-3-1-5-14(16)9-10-18(19)20/h1-10,13,21H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9711 kcal/mol

Physical Properties
Molecular Weight: 272.347 g/mol	logS: -6.85101	SlogP: 4.68097	Reactive groups: 0

Topological Properties
Globularity: 0.0320648	Sterimol/B1: 2.67707	Sterimol/B2: 2.80495	Sterimol/B3: 5.48569
Sterimol/B4: 5.50738	Sterimol/L: 14.1156

Surface and Volume Properties
Accessible surface: 497.645	Positive charged surface: 257.13	Negative charged surface: 208.929	Volume: 280.25
Hydrophobic surface: 443.839	Hydrophilic surface: 53.806

Pharmacophoric Properties
Hydrogen bond donors: 1	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.