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PUBCHEM-ZINC05998467

 MMsINC code: MMs03482498
Type: Neutral
Formula: C7H17NO7P2
SMILES:   P(OC)(OP(OC)(OC)=O)(=O)N1CCOCC1
InChI:   InChI=1/C7H17NO7P2/c1-11-16(9,8-4-6-14-7-5-8)15-17(10,12-2)13-3/h4-7H2,1-3H3/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=-33.97 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.161 g/mol  logS: 0.19151  SlogP: -0.6498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133093  Sterimol/B1: 2.4742  Sterimol/B2: 3.3285  Sterimol/B3: 4.367
  Sterimol/B4: 7.49062  Sterimol/L: 13.1855 
 
 Surface and Volume Properties
  Accessible surface: 476.884  Positive charged surface: 397.001  Negative charged surface: 79.8826  Volume: 233.5
  Hydrophobic surface: 393.829  Hydrophilic surface: 83.055
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.