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MMsINC code: MMs01022577

Type: Neutral
Formula: C₁₈H₂₆N₂O₂

SMILES:

O(CCCNC(=O)CCCc1c2c(n(c1)C)cccc2)CC

InChI:

InChI=1/C18H26N2O2/c1-3-22-13-7-12-19-18(21)11-6-8-15-14-20(2)17-10-5-4-9-16(15)17/h4-5,9-10,14H,3,6-8,11-13H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.0623 kcal/mol

Physical Properties
Molecular Weight: 302.418 g/mol	logS: -2.5317	SlogP: 3.40297	Reactive groups: 0

Topological Properties
Globularity: 0.031776	Sterimol/B1: 3.58457	Sterimol/B2: 3.59638	Sterimol/B3: 4.71528
Sterimol/B4: 5.2381	Sterimol/L: 21.0981

Surface and Volume Properties
Accessible surface: 642.448	Positive charged surface: 484.826	Negative charged surface: 153.02	Volume: 325.375
Hydrophobic surface: 550.802	Hydrophilic surface: 91.646

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.