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MMsINC code: MMs02525462

Type: Ionized
Formula: C₁₄H₂₄NO₄+

SMILES:

O(CCOCC[NH+](CCO)C)c1cc(OC)ccc1

InChI:

InChI=1/C14H23NO4/c1-15(6-8-16)7-9-18-10-11-19-14-5-3-4-13(12-14)17-2/h3-5,12,16H,6-11H2,1-2H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.4529 kcal/mol

Physical Properties
Molecular Weight: 270.349 g/mol	logS: -1.29924	SlogP: -0.4024	Reactive groups: 0

Topological Properties
Globularity: 0.117355	Sterimol/B1: 2.26733	Sterimol/B2: 2.9597	Sterimol/B3: 5.53789
Sterimol/B4: 6.27557	Sterimol/L: 15.9138

Surface and Volume Properties
Accessible surface: 561.616	Positive charged surface: 483.782	Negative charged surface: 77.8344	Volume: 281.875
Hydrophobic surface: 481.66	Hydrophilic surface: 79.956

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 1
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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Parent related molecule:

MMs02525461
NIH-ZINC02981076