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PUBCHEM-ZINC05828860

 MMsINC code: MMs03404237
Type: Neutral
Formula: C3H8NO5P
SMILES:   P(O)(O)(=O)CCN(O)C=O
InChI:   InChI=1/C3H8NO5P/c5-3-4(6)1-2-10(7,8)9/h3,6H,1-2H2,(H2,7,8,9)

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Potential Energy
Epot(MMFF94)=-30.1618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.073 g/mol  logS: 1.20674  SlogP: -2.0585  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107323  Sterimol/B1: 2.61356  Sterimol/B2: 2.96699  Sterimol/B3: 3.44248
  Sterimol/B4: 3.60196  Sterimol/L: 10.7995 
 
 Surface and Volume Properties
  Accessible surface: 325.059  Positive charged surface: 186.262  Negative charged surface: 138.797  Volume: 128.625
  Hydrophobic surface: 78.8578  Hydrophilic surface: 246.2012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.