MMsINC Database Search


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MMsINC code: MMs00058856

Type: Neutral
Formula: C₁₆H₁₂O₂

SMILES:

O(c1c2c(ccc1)cccc2)c1ccc(O)cc1

InChI:

InChI=1/C16H12O2/c17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8968 kcal/mol

Physical Properties
Molecular Weight: 236.27 g/mol	logS: -4.68352	SlogP: 4.3377	Reactive groups: 0

Topological Properties
Globularity: 0.070584	Sterimol/B1: 3.55264	Sterimol/B2: 3.6249	Sterimol/B3: 3.63329
Sterimol/B4: 5.6692	Sterimol/L: 14.7831

Surface and Volume Properties
Accessible surface: 457.945	Positive charged surface: 252.964	Negative charged surface: 194.993	Volume: 236.5
Hydrophobic surface: 406.052	Hydrophilic surface: 51.893

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.