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PUBCHEM-ZINC06185644

 MMsINC code: MMs03586654
Type: Neutral
Formula: C7H14NO5P
SMILES:   P(O)(O)(=O)CC1CC(NCC1)C(O)=O
InChI:   InChI=1/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6-/m0/s1

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Potential Energy
Epot(MMFF94)=-11.6905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.165 g/mol  logS: 0.68749  SlogP: -1.4533  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20667  Sterimol/B1: 2.91359  Sterimol/B2: 3.50105  Sterimol/B3: 3.59488
  Sterimol/B4: 5.34982  Sterimol/L: 10.8417 
 
 Surface and Volume Properties
  Accessible surface: 386.986  Positive charged surface: 255.312  Negative charged surface: 131.673  Volume: 184.75
  Hydrophobic surface: 149.944  Hydrophilic surface: 237.042
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.