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PUBCHEM-ZINC03789692

 MMsINC code: MMs03076228
Type: Neutral
Formula: C6H15NO7P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)NCC1OCCC1
InChI:   InChI=1/C6H15NO7P2/c8-15(9,10)6(16(11,12)13)7-4-5-2-1-3-14-5/h5-7H,1-4H2,(H2,8,9,10)(H2,11,12,13)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-5.92378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.134 g/mol  logS: 1.85005  SlogP: -2.7464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113378  Sterimol/B1: 3.10873  Sterimol/B2: 3.81206  Sterimol/B3: 3.92207
  Sterimol/B4: 4.94465  Sterimol/L: 12.809 
 
 Surface and Volume Properties
  Accessible surface: 441.596  Positive charged surface: 275.977  Negative charged surface: 165.619  Volume: 209.25
  Hydrophobic surface: 199.811  Hydrophilic surface: 241.785
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 8  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.