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MMsINC code: MMs01646236

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O=C(Nc1cc(ccc1C)C)C(NCCC)c1ccccc1

InChI:

InChI=1/C19H24N2O/c1-4-12-20-18(16-8-6-5-7-9-16)19(22)21-17-13-14(2)10-11-15(17)3/h5-11,13,18,20H,4,12H2,1-3H3,(H,21,22)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0943 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -4.28518	SlogP: 4.07834	Reactive groups: 0

Topological Properties
Globularity: 0.131072	Sterimol/B1: 2.80487	Sterimol/B2: 3.29502	Sterimol/B3: 5.69102
Sterimol/B4: 8.36278	Sterimol/L: 15.4086

Surface and Volume Properties
Accessible surface: 592.687	Positive charged surface: 383.767	Negative charged surface: 208.919	Volume: 317.5
Hydrophobic surface: 531.876	Hydrophilic surface: 60.811

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: no related molecules available.