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PUBCHEM-ZINC03643220

 MMsINC code: MMs03032139
Type: Neutral
Formula: C5H12NO6P
SMILES:   P(O)(O)(=O)CCC(O)C(N)C(O)=O
InChI:   InChI=1/C5H12NO6P/c6-4(5(8)9)3(7)1-2-13(10,11)12/h3-4,7H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-,4+/m1/s1

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Potential Energy
Epot(MMFF94)=-10.072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.126 g/mol  logS: 1.39255  SlogP: -2.7432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121096  Sterimol/B1: 3.05671  Sterimol/B2: 3.43403  Sterimol/B3: 3.47595
  Sterimol/B4: 3.63208  Sterimol/L: 12.5204 
 
 Surface and Volume Properties
  Accessible surface: 383.9  Positive charged surface: 224.964  Negative charged surface: 158.936  Volume: 164.875
  Hydrophobic surface: 77.502  Hydrophilic surface: 306.398
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.