MMsINC Database Search


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MMsINC code: MMs02339163

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

Oc1cc(-c2ccccc2)c(O)cc1-c1ccccc1

InChI:

InChI=1/C18H14O2/c19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13/h1-12,19-20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.1254 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -5.51374	SlogP: 4.4318	Reactive groups: 0

Topological Properties
Globularity: 0.0588677	Sterimol/B1: 3.29003	Sterimol/B2: 3.33753	Sterimol/B3: 3.97778
Sterimol/B4: 4.23714	Sterimol/L: 16.4072

Surface and Volume Properties
Accessible surface: 504.685	Positive charged surface: 276.588	Negative charged surface: 219.689	Volume: 263.75
Hydrophobic surface: 427.05	Hydrophilic surface: 77.635

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.