MMsINC Database Search


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MMsINC code: MMs02850227

Type: Neutral
Formula: C₁₂H₁₀O₂

SMILES:

Oc1ccccc1-c1cc(O)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.6056 kcal/mol

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

Topological Properties
Globularity: 0.0910283	Sterimol/B1: 2.34538	Sterimol/B2: 2.37937	Sterimol/B3: 3.64146
Sterimol/B4: 5.20652	Sterimol/L: 12.1196

Surface and Volume Properties
Accessible surface: 388.862	Positive charged surface: 220.986	Negative charged surface: 163.725	Volume: 183
Hydrophobic surface: 296.643	Hydrophilic surface: 92.219

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.