MMsINC Database Search


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

MMsINC code: MMs00804382

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

o1c2c(nc1-c1cc(N)cc(C)c1O)cc(cc2)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.429 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -4.69387	SlogP: 3.39944	Reactive groups: 0

Topological Properties
Globularity: 0.00767243	Sterimol/B1: 2.10125	Sterimol/B2: 2.60444	Sterimol/B3: 4.23936
Sterimol/B4: 5.08431	Sterimol/L: 15.0674

Surface and Volume Properties
Accessible surface: 492.426	Positive charged surface: 314.547	Negative charged surface: 177.879	Volume: 243.625
Hydrophobic surface: 359.91	Hydrophilic surface: 132.516

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.