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MMsINC code: MMs03291750

Type: Ionized
Formula: C₁₈H₃₅N₂O₄+

SMILES:

O(C(=O)CCCC)CCN1CC[NH+](CC1)CCOC(=O)CCCC

InChI:

InChI=1/C18H34N2O4/c1-3-5-7-17(21)23-15-13-19-9-11-20(12-10-19)14-16-24-18(22)8-6-4-2/h3-16H2,1-2H3/p+1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.5949 kcal/mol

Physical Properties
Molecular Weight: 343.488 g/mol	logS: -2.80625	SlogP: 0.6537	Reactive groups: 1

Topological Properties
Globularity: 0.0853193	Sterimol/B1: 2.15752	Sterimol/B2: 3.75633	Sterimol/B3: 5.61869
Sterimol/B4: 7.50869	Sterimol/L: 21.7271

Surface and Volume Properties
Accessible surface: 716.568	Positive charged surface: 592.956	Negative charged surface: 123.612	Volume: 366.5
Hydrophobic surface: 579.946	Hydrophilic surface: 136.622

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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:

MMs03291749
PUBCHEM-ZINC05510247