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NCID-ZINC05826341

 MMsINC code: MMs02503568
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)=-18.3343 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: 0.112428  Sterimol/B1: 2.91064  Sterimol/B2: 3.49896  Sterimol/B3: 3.58596
  Sterimol/B4: 4.69445  Sterimol/L: 10.9866 
 
 Surface and Volume Properties
  Accessible surface: 366.145  Positive charged surface: 214.636  Negative charged surface: 151.509  Volume: 154.25
  Hydrophobic surface: 68.6815  Hydrophilic surface: 297.4635
 
 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.