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NCID-ZINC05826340

 MMsINC code: MMs02503567
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-/m0/s1

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Potential Energy
Epot(MMFF94)=-17.6167 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: 0.174945  Sterimol/B1: 2.44937  Sterimol/B2: 3.51224  Sterimol/B3: 3.94473
  Sterimol/B4: 4.07993  Sterimol/L: 11.2002 
 
 Surface and Volume Properties
  Accessible surface: 361.374  Positive charged surface: 210.045  Negative charged surface: 151.328  Volume: 154
  Hydrophobic surface: 74.1165  Hydrophilic surface: 287.2575
 
 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.