MMsINC Database Search


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MMsINC code: MMs00019453

Type: Neutral
Formula: C₁₀H₈O₂

SMILES:

Oc1cc2c(cc(O)cc2)cc1

InChI:

InChI=1/C10H8O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,11-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.7866 kcal/mol

Physical Properties
Molecular Weight: 160.172 g/mol	logS: -2.53886	SlogP: 2.251	Reactive groups: 0

Topological Properties
Globularity: 0.0090204	Sterimol/B1: 2.25144	Sterimol/B2: 2.27176	Sterimol/B3: 2.54622
Sterimol/B4: 5.77078	Sterimol/L: 11.0934

Surface and Volume Properties
Accessible surface: 342.688	Positive charged surface: 188.107	Negative charged surface: 143.511	Volume: 154.125
Hydrophobic surface: 238.471	Hydrophilic surface: 104.217

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.