MMsINC Database Search


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MMsINC code: MMs03546969

Type: Neutral
Formula: C₂₀H₁₂O

SMILES:

Oc1c2c3c4c(c5c2cccc5)cccc4ccc3cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.749 kcal/mol

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

Topological Properties
Globularity: 0.00306314	Sterimol/B1: 2.13495	Sterimol/B2: 2.1744	Sterimol/B3: 4.27852
Sterimol/B4: 7.64614	Sterimol/L: 12.4866

Surface and Volume Properties
Accessible surface: 457.708	Positive charged surface: 210.035	Negative charged surface: 203.387	Volume: 259.5
Hydrophobic surface: 422.705	Hydrophilic surface: 35.003

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.