MMsINC Database Search


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

MMsINC code: MMs01752090

Type: Neutral
Formula: C₁₆H₁₄N₂O₂

SMILES:

O(C)c1ccc(cc1)-c1nc(OC)c2c(n1)cccc2

InChI:

InChI=1/C16H14N2O2/c1-19-12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(18-15)20-2/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6444 kcal/mol

Physical Properties
Molecular Weight: 266.3 g/mol	logS: -5.2321	SlogP: 3.314	Reactive groups: 0

Topological Properties
Globularity: 0.00679124	Sterimol/B1: 2.37496	Sterimol/B2: 2.3769	Sterimol/B3: 4.29156
Sterimol/B4: 6.62679	Sterimol/L: 16.0967

Surface and Volume Properties
Accessible surface: 504.649	Positive charged surface: 332.933	Negative charged surface: 160.645	Volume: 259.625
Hydrophobic surface: 455.789	Hydrophilic surface: 48.86

Pharmacophoric Properties
Hydrogen bond donors: 0	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.