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PUBCHEM-ZINC05112535

 MMsINC code: MMs03200971
Type: Neutral
Formula: C5H10NO5P
SMILES:   P(O)(O)(=O)C\C=C\C(N)C(O)=O
InChI:   InChI=1/C5H10NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h1-2,4H,3,6H2,(H,7,8)(H2,9,10,11)/b2-1+/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-3.25523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.111 g/mol  logS: 0.88596  SlogP: -1.938  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144818  Sterimol/B1: 2.17071  Sterimol/B2: 3.40726  Sterimol/B3: 3.87077
  Sterimol/B4: 4.33063  Sterimol/L: 11.3942 
 
 Surface and Volume Properties
  Accessible surface: 374.993  Positive charged surface: 218.112  Negative charged surface: 156.881  Volume: 155.875
  Hydrophobic surface: 79.8838  Hydrophilic surface: 295.1092
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.