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PUBCHEM-ZINC06904106

 MMsINC code: MMs03894840
Type: Neutral
Formula: C5H12NO5+
SMILES:   OC(=O)C[N+](CO)(CO)CO
InChI:   InChI=1/C5H11NO5/c7-2-6(3-8,4-9)1-5(10)11/h7-9H,1-4H2/p+1

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Potential Energy
Epot(MMFF94)=-18.3798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.153 g/mol  logS: 2.13723  SlogP: -2.2628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.327706  Sterimol/B1: 2.13628  Sterimol/B2: 3.9057  Sterimol/B3: 4.44598
  Sterimol/B4: 4.5422  Sterimol/L: 10.2312 
 
 Surface and Volume Properties
  Accessible surface: 326.51  Positive charged surface: 260.186  Negative charged surface: 66.3238  Volume: 142.125
  Hydrophobic surface: 94.3937  Hydrophilic surface: 232.1163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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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Ions/Tautomers related molecules: no related molecules available.