MMsINC Database Search


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MMsINC code: MMs00006850

Type: Neutral
Formula: C₁₂H₁₀O₂

SMILES:

Oc1ccccc1-c1ccccc1O

InChI:

InChI=1/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.9557 kcal/mol

Physical Properties
Molecular Weight: 186.21 g/mol	logS: -3.08736	SlogP: 2.7648	Reactive groups: 0

Topological Properties
Globularity: 0.125109	Sterimol/B1: 2.38151	Sterimol/B2: 2.63605	Sterimol/B3: 3.9244
Sterimol/B4: 5.0082	Sterimol/L: 12.1557

Surface and Volume Properties
Accessible surface: 383.158	Positive charged surface: 219.162	Negative charged surface: 162.611	Volume: 186
Hydrophobic surface: 309.332	Hydrophilic surface: 73.826

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.