MMsINC Database Search


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MMsINC code: MMs03378594

Type: Neutral
Formula: C₂₀H₁₆O

SMILES:

Oc1cc2c3c(ccc2cc1)c(c1c(cccc1)c3C)C

InChI:

InChI=1/C20H16O/c1-12-16-5-3-4-6-17(16)13(2)20-18(12)10-8-14-7-9-15(21)11-19(14)20/h3-11,21H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.843 kcal/mol

Physical Properties
Molecular Weight: 272.347 g/mol	logS: -7.60441	SlogP: 5.46864	Reactive groups: 0

Topological Properties
Globularity: 0.0275729	Sterimol/B1: 2.23491	Sterimol/B2: 2.54014	Sterimol/B3: 3.43769
Sterimol/B4: 7.50894	Sterimol/L: 14.3024

Surface and Volume Properties
Accessible surface: 484.526	Positive charged surface: 254.294	Negative charged surface: 200.974	Volume: 276.875
Hydrophobic surface: 432.842	Hydrophilic surface: 51.684

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.