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PUBCHEM-ZINC05189970

 MMsINC code: MMs03222065
Type: Neutral
Formula: C3H11NO6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)(NC)C
InChI:   InChI=1/C3H11NO6P2/c1-3(4-2,11(5,6)7)12(8,9)10/h4H,1-2H3,(H2,5,6,7)(H2,8,9,10)

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Potential Energy
Epot(MMFF94)=-27.3534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.07 g/mol  logS: 1.54243  SlogP: -2.9055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.396501  Sterimol/B1: 2.12849  Sterimol/B2: 3.04278  Sterimol/B3: 4.93949
  Sterimol/B4: 5.23549  Sterimol/L: 9.07057 
 
 Surface and Volume Properties
  Accessible surface: 348.045  Positive charged surface: 211.713  Negative charged surface: 136.332  Volume: 157.875
  Hydrophobic surface: 91.663  Hydrophilic surface: 256.382
 
 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.