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MMsINC code: MMs00799816

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O1CCN(CC1)CCOc1ccc(cc1)Cc1ccccc1

InChI:

InChI=1/C19H23NO2/c1-2-4-17(5-3-1)16-18-6-8-19(9-7-18)22-15-12-20-10-13-21-14-11-20/h1-9H,10-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.8421 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -3.74101	SlogP: 2.98837	Reactive groups: 0

Topological Properties
Globularity: 0.072272	Sterimol/B1: 2.51503	Sterimol/B2: 3.37539	Sterimol/B3: 4.58663
Sterimol/B4: 5.28773	Sterimol/L: 17.6978

Surface and Volume Properties
Accessible surface: 581.989	Positive charged surface: 418.81	Negative charged surface: 163.179	Volume: 311.75
Hydrophobic surface: 562.843	Hydrophilic surface: 19.146

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

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Ions/Tautomers related molecules

MMs00799817
CHEMBRIDGE-ZINC04842504