MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00974317

Type: Neutral
Formula: C₁₆H₁₄N₂O₂

SMILES:

Oc1c2c(nc(Nc3ccc(O)cc3)cc2C)ccc1

InChI:

InChI=1/C16H14N2O2/c1-10-9-15(17-11-5-7-12(19)8-6-11)18-13-3-2-4-14(20)16(10)13/h2-9,19-20H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.6462 kcal/mol

Physical Properties
Molecular Weight: 266.3 g/mol	logS: -3.65502	SlogP: 3.69802	Reactive groups: 0

Topological Properties
Globularity: 0.0266851	Sterimol/B1: 2.42065	Sterimol/B2: 2.45388	Sterimol/B3: 3.06097
Sterimol/B4: 7.5414	Sterimol/L: 14.3694

Surface and Volume Properties
Accessible surface: 485.823	Positive charged surface: 291.761	Negative charged surface: 188.967	Volume: 253.375
Hydrophobic surface: 364.516	Hydrophilic surface: 121.307

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.