MMsINC Database Search


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MMsINC code: MMs03546975

Type: Neutral
Formula: C₂₀H₁₂O

SMILES:

Oc1c2c3c4c(c5c(c3cc1)cccc5)cccc4cc2

InChI:

InChI=1/C20H12O/c21-18-11-10-16-14-6-2-1-5-13(14)15-7-3-4-12-8-9-17(18)20(16)19(12)15/h1-11,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.0862 kcal/mol

Physical Properties
Molecular Weight: 268.315 g/mol	logS: -7.98595	SlogP: 5.4428	Reactive groups: 0

Topological Properties
Globularity: 0.00277556	Sterimol/B1: 2.097	Sterimol/B2: 2.22672	Sterimol/B3: 5.16382
Sterimol/B4: 6.58667	Sterimol/L: 12.497

Surface and Volume Properties
Accessible surface: 462.18	Positive charged surface: 210.454	Negative charged surface: 207.441	Volume: 259.625
Hydrophobic surface: 416.758	Hydrophilic surface: 45.422

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: 0

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Ions/Tautomers related molecules: no related molecules available.