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PUBCHEM-ZINC05138198

 MMsINC code: MMs03210195
Type: Neutral
Formula: C5H12NO6P
SMILES:   P(O)(O)(=O)CC(O)CN(O)C(=O)C
InChI:   InChI=1/C5H12NO6P/c1-4(7)6(9)2-5(8)3-13(10,11)12/h5,8-9H,2-3H2,1H3,(H2,10,11,12)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-9.52586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.126 g/mol  logS: 1.2982  SlogP: -2.3075  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0987981  Sterimol/B1: 2.6694  Sterimol/B2: 3.26325  Sterimol/B3: 3.64191
  Sterimol/B4: 4.75172  Sterimol/L: 12.6642 
 
 Surface and Volume Properties
  Accessible surface: 388.467  Positive charged surface: 232.756  Negative charged surface: 155.71  Volume: 168.5
  Hydrophobic surface: 150.37  Hydrophilic surface: 238.097
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.