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PUBCHEM-ZINC05112529

 MMsINC code: MMs03200965
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-/m0/s1

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Potential Energy
Epot(MMFF94)=-6.46682 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: 0.102835  Sterimol/B1: 2.55372  Sterimol/B2: 2.55394  Sterimol/B3: 3.92339
  Sterimol/B4: 5.31616  Sterimol/L: 11.606 
 
 Surface and Volume Properties
  Accessible surface: 375.696  Positive charged surface: 220.903  Negative charged surface: 154.793  Volume: 154.5
  Hydrophobic surface: 78.9254  Hydrophilic surface: 296.7706
 
 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


MMs03200966
PUBCHEM-ZINC05112529