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PUBCHEM-ZINC05112754

 MMsINC code: MMs03201172
Type: Neutral
Formula: C4H11NO8P2
SMILES:   P(OCN(CC(O)=O)COP(O)O)(O)O
InChI:   InChI=1/C4H11NO8P2/c6-4(7)1-5(2-12-14(8)9)3-13-15(10)11/h8-11H,1-3H2,(H,6,7)

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Potential Energy
Epot(MMFF94)=4.20076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.079 g/mol  logS: 1.63569  SlogP: -1.2558  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.100379  Sterimol/B1: 2.57797  Sterimol/B2: 3.73817  Sterimol/B3: 3.92621
  Sterimol/B4: 5.00058  Sterimol/L: 13.368 
 
 Surface and Volume Properties
  Accessible surface: 446.05  Positive charged surface: 314.648  Negative charged surface: 131.402  Volume: 191.75
  Hydrophobic surface: 80.0995  Hydrophilic surface: 365.9505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 9  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.