MMsINC Database Search


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MMsINC code: MMs02859168

Type: Neutral
Formula: C₁₈H₁₂O

SMILES:

Oc1cc2c3c(c4c(cc3)cccc4)ccc2cc1

InChI:

InChI=1/C18H12O/c19-14-8-5-13-7-9-16-15-4-2-1-3-12(15)6-10-17(16)18(13)11-14/h1-11,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.8101 kcal/mol

Physical Properties
Molecular Weight: 244.293 g/mol	logS: -6.65657	SlogP: 4.8518	Reactive groups: 0

Topological Properties
Globularity: 0.00194761	Sterimol/B1: 2.11553	Sterimol/B2: 2.23064	Sterimol/B3: 4.27091
Sterimol/B4: 5.03665	Sterimol/L: 14.2564

Surface and Volume Properties
Accessible surface: 457.391	Positive charged surface: 212.677	Negative charged surface: 211.501	Volume: 243.5
Hydrophobic surface: 405.545	Hydrophilic surface: 51.846

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.