MMsINC Database Search


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

MMsINC code: MMs01071982

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

O=C(Nc1ccccc1CC)c1cc2c([nH]c(C)c2C)cc1

InChI:

InChI=1/C19H20N2O/c1-4-14-7-5-6-8-17(14)21-19(22)15-9-10-18-16(11-15)12(2)13(3)20-18/h5-11,20H,4H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.6444 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -4.79432	SlogP: 4.59941	Reactive groups: 0

Topological Properties
Globularity: 0.0202272	Sterimol/B1: 2.38241	Sterimol/B2: 2.51013	Sterimol/B3: 3.4289
Sterimol/B4: 7.48164	Sterimol/L: 16.668

Surface and Volume Properties
Accessible surface: 553.276	Positive charged surface: 327.831	Negative charged surface: 219.979	Volume: 304.25
Hydrophobic surface: 477.275	Hydrophilic surface: 76.001

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.