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PUBCHEM-ZINC06380441

 MMsINC code: MMs03694340
Type: Neutral
Formula: C4H13NO6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)NCCC
InChI:   InChI=1/C4H13NO6P2/c1-2-3-5-4(12(6,7)8)13(9,10)11/h4-5H,2-3H2,1H3,(H2,6,7,8)(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-38.4185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.097 g/mol  logS: 2.01609  SlogP: -2.5154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119631  Sterimol/B1: 2.63707  Sterimol/B2: 3.60297  Sterimol/B3: 4.14831
  Sterimol/B4: 4.93445  Sterimol/L: 11.5184 
 
 Surface and Volume Properties
  Accessible surface: 392.872  Positive charged surface: 222.96  Negative charged surface: 169.912  Volume: 176.625
  Hydrophobic surface: 132.483  Hydrophilic surface: 260.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.