MMsINC Database Search


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MMsINC code: MMs00008378

Type: Neutral
Formula: C₁₀H₈O

SMILES:

Oc1c2c(ccc1)cccc2

InChI:

InChI=1/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.3851 kcal/mol

Physical Properties
Molecular Weight: 144.173 g/mol	logS: -2.90081	SlogP: 2.5454	Reactive groups: 0

Topological Properties
Globularity: 0.00731325	Sterimol/B1: 2.12114	Sterimol/B2: 2.23783	Sterimol/B3: 3.7498
Sterimol/B4: 4.68975	Sterimol/L: 9.91543

Surface and Volume Properties
Accessible surface: 328.667	Positive charged surface: 171.965	Negative charged surface: 145.631	Volume: 147.25
Hydrophobic surface: 282.797	Hydrophilic surface: 45.87

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.