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MMsINC code: MMs01376811

Type: Neutral
Formula: C₁₈H₂₄N₂O₂

SMILES:

O=C(NCC(=O)N1CCCc2c1cccc2)C1CCCCC1

InChI:

InChI=1/C18H24N2O2/c21-17(13-19-18(22)15-8-2-1-3-9-15)20-12-6-10-14-7-4-5-11-16(14)20/h4-5,7,11,15H,1-3,6,8-10,12-13H2,(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6739 kcal/mol

Physical Properties
Molecular Weight: 300.402 g/mol	logS: -3.89371	SlogP: 2.66227	Reactive groups: 0

Topological Properties
Globularity: 0.0248063	Sterimol/B1: 2.90366	Sterimol/B2: 2.96412	Sterimol/B3: 3.1677
Sterimol/B4: 7.13832	Sterimol/L: 17.1106

Surface and Volume Properties
Accessible surface: 561.362	Positive charged surface: 404.443	Negative charged surface: 156.918	Volume: 304.75
Hydrophobic surface: 498.695	Hydrophilic surface: 62.667

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.