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PUBCHEM-ZINC05112545

 MMsINC code: MMs03200977
Type: Neutral
Formula: C4H8NO5P
SMILES:   P(O)(O)(=O)\C=C\CN(O)C=O
InChI:   InChI=1/C4H8NO5P/c6-4-5(7)2-1-3-11(8,9)10/h1,3-4,7H,2H2,(H2,8,9,10)/b3-1+

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Potential Energy
Epot(MMFF94)=-22.8593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.084 g/mol  logS: 0.93417  SlogP: -1.5448  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13599  Sterimol/B1: 2.25974  Sterimol/B2: 2.89311  Sterimol/B3: 3.62868
  Sterimol/B4: 4.3747  Sterimol/L: 11.1134 
 
 Surface and Volume Properties
  Accessible surface: 352.802  Positive charged surface: 194.301  Negative charged surface: 158.502  Volume: 141.375
  Hydrophobic surface: 70.0878  Hydrophilic surface: 282.7142
 
 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.