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PUBCHEM-ZINC05525247

 MMsINC code: MMs03297297
Type: Ionized
Formula: C5H10NO4P-2
SMILES:   P(=O)([O-])(CN(CC(=O)[O-])C)C
InChI:   InChI=1/C5H12NO4P/c1-6(3-5(7)8)4-11(2,9)10/h3-4H2,1-2H3,(H,7,8)(H,9,10)/p-2

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Potential Energy
Epot(MMFF94)=70.8717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.112 g/mol  logS: 1.05716  SlogP: -3.1764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.283798  Sterimol/B1: 2.22602  Sterimol/B2: 2.40844  Sterimol/B3: 4.23939
  Sterimol/B4: 5.10422  Sterimol/L: 10.4957 
 
 Surface and Volume Properties
  Accessible surface: 341.829  Positive charged surface: 186.103  Negative charged surface: 155.727  Volume: 151.125
  Hydrophobic surface: 166.074  Hydrophilic surface: 175.755
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 4  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:


MMs03297296
PUBCHEM-ZINC05525247