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MMsINC code: MMs03958874

Type: Ionized
Formula: C₁₁H₁₇N₂O₄-

SMILES:

O=C(N1CCN(CC1)C=O)CC(CC(=O)[O-])C

InChI:

InChI=1/C11H18N2O4/c1-9(7-11(16)17)6-10(15)13-4-2-12(8-14)3-5-13/h8-9H,2-7H2,1H3,(H,16,17)/p-1/t9-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.0352 kcal/mol

Physical Properties
Molecular Weight: 241.267 g/mol	logS: -0.50594	SlogP: -1.5468	Reactive groups: 0

Topological Properties
Globularity: 0.084178	Sterimol/B1: 2.28812	Sterimol/B2: 2.8901	Sterimol/B3: 4.51705
Sterimol/B4: 4.70965	Sterimol/L: 14.7501

Surface and Volume Properties
Accessible surface: 461.471	Positive charged surface: 314.327	Negative charged surface: 147.145	Volume: 228.375
Hydrophobic surface: 260.893	Hydrophilic surface: 200.578

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs03958873
VITASM-ZINC04704316