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PUBCHEM-ZINC05113245

 MMsINC code: MMs03201591
Type: Ionized
Formula: C8H15N2O4-
SMILES:   OCCCCN(N=O)CCCC(=O)[O-]
InChI:   InChI=1/C8H16N2O4/c11-7-2-1-5-10(9-14)6-3-4-8(12)13/h11H,1-7H2,(H,12,13)/p-1

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Potential Energy
Epot(MMFF94)=10.4001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.218 g/mol  logS: -0.33181  SlogP: -0.7276  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.058064  Sterimol/B1: 3.04495  Sterimol/B2: 3.24399  Sterimol/B3: 4.21589
  Sterimol/B4: 4.5824  Sterimol/L: 14.6968 
 
 Surface and Volume Properties
  Accessible surface: 431.561  Positive charged surface: 266.391  Negative charged surface: 165.171  Volume: 190.75
  Hydrophobic surface: 279.991  Hydrophilic surface: 151.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs03201590
PUBCHEM-ZINC05113245