MMsINC Database Search


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MMsINC code: MMs02675475

Type: Neutral
Formula: C₁₂H₁₀O₂

SMILES:

Oc1cc(ccc1)-c1cc(O)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.4583 kcal/mol

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

Topological Properties
Globularity: 0.00556949	Sterimol/B1: 2.25257	Sterimol/B2: 2.25382	Sterimol/B3: 2.4991
Sterimol/B4: 5.86838	Sterimol/L: 12.0037

Surface and Volume Properties
Accessible surface: 391.598	Positive charged surface: 203.345	Negative charged surface: 177.182	Volume: 182.25
Hydrophobic surface: 287.46	Hydrophilic surface: 104.138

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.