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IBS-ZINC01856290

 MMsINC code: MMs01778974
Type: Neutral
Formula: C5H10NO5P
SMILES:   P(O)(O)(=O)\C=C\CC(N)C(O)=O
InChI:   InChI=1/C5H10NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h1,3-4H,2,6H2,(H,7,8)(H2,9,10,11)/b3-1+/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-22.8266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.111 g/mol  logS: 1.23729  SlogP: -1.5904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0908924  Sterimol/B1: 2.50523  Sterimol/B2: 3.06005  Sterimol/B3: 3.96187
  Sterimol/B4: 4.05176  Sterimol/L: 11.7927 
 
 Surface and Volume Properties
  Accessible surface: 381.699  Positive charged surface: 217.557  Negative charged surface: 164.141  Volume: 156.25
  Hydrophobic surface: 72.3709  Hydrophilic surface: 309.3281
 
 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.