MMsINC Database Search


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MMsINC code: MMs00006361

Type: Neutral
Formula: C₁₀H₈O₂

SMILES:

Oc1c2c(cccc2)c(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.0328 kcal/mol

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

Topological Properties
Globularity: 0.012955	Sterimol/B1: 2.15963	Sterimol/B2: 2.2803	Sterimol/B3: 3.83162
Sterimol/B4: 5.22159	Sterimol/L: 9.64084

Surface and Volume Properties
Accessible surface: 338.6	Positive charged surface: 185.722	Negative charged surface: 141.807	Volume: 151.625
Hydrophobic surface: 247.194	Hydrophilic surface: 91.406

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.