MMsINC Database Search


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MMsINC code: MMs01888976

Type: Neutral
Formula: C₁₂H₈O₂

SMILES:

o1c2cc(O)ccc2c2c1cccc2

InChI:

InChI=1/C12H8O2/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.4647 kcal/mol

Physical Properties
Molecular Weight: 184.194 g/mol	logS: -4.31494	SlogP: 3.2916	Reactive groups: 0

Topological Properties
Globularity: 0.00352119	Sterimol/B1: 2.097	Sterimol/B2: 2.26898	Sterimol/B3: 3.0057
Sterimol/B4: 4.84315	Sterimol/L: 12.4678

Surface and Volume Properties
Accessible surface: 374.105	Positive charged surface: 197.571	Negative charged surface: 165.677	Volume: 175.625
Hydrophobic surface: 310.289	Hydrophilic surface: 63.816

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.