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MMsINC code: MMs00843262

Type: Neutral
Formula: C₁₉H₂₆N₂O₂

SMILES:

O=C1N(CCc2ccccc2)C(CC1)C(=O)NC1CCCCC1

InChI:

InChI=1/C19H26N2O2/c22-18-12-11-17(19(23)20-16-9-5-2-6-10-16)21(18)14-13-15-7-3-1-4-8-15/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,20,23)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.6103 kcal/mol

Physical Properties
Molecular Weight: 314.429 g/mol	logS: -3.36273	SlogP: 2.66897	Reactive groups: 0

Topological Properties
Globularity: 0.0611431	Sterimol/B1: 2.47305	Sterimol/B2: 3.13361	Sterimol/B3: 3.17594
Sterimol/B4: 10.2124	Sterimol/L: 15.3885

Surface and Volume Properties
Accessible surface: 589.427	Positive charged surface: 402.8	Negative charged surface: 186.627	Volume: 324.875
Hydrophobic surface: 522.183	Hydrophilic surface: 67.244

Pharmacophoric Properties
Hydrogen bond donors: 1	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.