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MMsINC code: MMs01289224

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

OC(CN1CCN(CC1)Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C19H24N2O/c22-19(18-9-5-2-6-10-18)16-21-13-11-20(12-14-21)15-17-7-3-1-4-8-17/h1-10,19,22H,11-16H2/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.44 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -2.86842	SlogP: 2.8997	Reactive groups: 0

Topological Properties
Globularity: 0.0637922	Sterimol/B1: 2.73969	Sterimol/B2: 3.05781	Sterimol/B3: 5.00718
Sterimol/B4: 5.30243	Sterimol/L: 17.9901

Surface and Volume Properties
Accessible surface: 575.635	Positive charged surface: 389.714	Negative charged surface: 185.921	Volume: 314.875
Hydrophobic surface: 531.412	Hydrophilic surface: 44.223

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs01289225
ENAMINE-ZINC03050932