MMsINC Database Search


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MMsINC code: MMs02742272

Type: Neutral
Formula: C₁₂H₁₀O₂

SMILES:

Oc1c(cccc1O)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.8201 kcal/mol

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

Topological Properties
Globularity: 0.0680619	Sterimol/B1: 2.70664	Sterimol/B2: 2.81528	Sterimol/B3: 3.81931
Sterimol/B4: 4.09337	Sterimol/L: 12.1148

Surface and Volume Properties
Accessible surface: 387.481	Positive charged surface: 213.611	Negative charged surface: 169.084	Volume: 184
Hydrophobic surface: 303.639	Hydrophilic surface: 83.842

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.