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MMsINC code: MMs00486472

Type: Neutral
Formula: C₁₉H₂₆N₂O₃

SMILES:

OC1N(CCc2ccccc2)C(=O)CN(C1)C(=O)C1CCCCC1

InChI:

InChI=1/C19H26N2O3/c22-17-13-20(19(24)16-9-5-2-6-10-16)14-18(23)21(17)12-11-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,22H,2,5-6,9-14H2/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.2068 kcal/mol

Physical Properties
Molecular Weight: 330.428 g/mol	logS: -3.23462	SlogP: 1.79857	Reactive groups: 0

Topological Properties
Globularity: 0.0386429	Sterimol/B1: 2.96407	Sterimol/B2: 3.53829	Sterimol/B3: 3.87305
Sterimol/B4: 5.68788	Sterimol/L: 18.4102

Surface and Volume Properties
Accessible surface: 588.616	Positive charged surface: 410.506	Negative charged surface: 178.109	Volume: 327.75
Hydrophobic surface: 494.846	Hydrophilic surface: 93.77

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: no related molecules available.