MMsINC Database Search


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

MMsINC code: MMs00139344

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

o1c2c(nc1-c1cc(N)c(cc1)C)cc(OC)cc2

InChI:

InChI=1/C15H14N2O2/c1-9-3-4-10(7-12(9)16)15-17-13-8-11(18-2)5-6-14(13)19-15/h3-8H,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8137 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -4.63228	SlogP: 3.39402	Reactive groups: 0

Topological Properties
Globularity: 0.00496582	Sterimol/B1: 2.3792	Sterimol/B2: 2.51222	Sterimol/B3: 3.48531
Sterimol/B4: 4.70284	Sterimol/L: 16.965

Surface and Volume Properties
Accessible surface: 495.237	Positive charged surface: 324.969	Negative charged surface: 170.268	Volume: 246.375
Hydrophobic surface: 393.308	Hydrophilic surface: 101.929

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.