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MMsINC code: MMs01738503

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

OC(CN1CCc2c(C1)cccc2)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C19H20N2O/c22-19(17-11-20-18-8-4-3-7-16(17)18)13-21-10-9-14-5-1-2-6-15(14)12-21/h1-8,11,19-20,22H,9-10,12-13H2/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.8298 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -3.29546	SlogP: 3.62147	Reactive groups: 0

Topological Properties
Globularity: 0.0624372	Sterimol/B1: 3.29783	Sterimol/B2: 3.81854	Sterimol/B3: 4.30761
Sterimol/B4: 4.77787	Sterimol/L: 16.8515

Surface and Volume Properties
Accessible surface: 540.707	Positive charged surface: 334.192	Negative charged surface: 201.988	Volume: 296.75
Hydrophobic surface: 450.797	Hydrophilic surface: 89.91

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01738504
IBS-ZINC00491351