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CHEMBLOCK-ZINC04359294

 MMsINC code: MMs00549267
Type: Neutral
Formula: C4H13NO6P2
SMILES:   P(O)(O)(=O)CN(CC)CP(O)(O)=O
InChI:   InChI=1/C4H13NO6P2/c1-2-5(3-12(6,7)8)4-13(9,10)11/h2-4H2,1H3,(H2,6,7,8)(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-19.8122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.097 g/mol  logS: 2.1124  SlogP: -2.5617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.234021  Sterimol/B1: 2.54506  Sterimol/B2: 2.81258  Sterimol/B3: 3.92052
  Sterimol/B4: 6.97023  Sterimol/L: 10.9276 
 
 Surface and Volume Properties
  Accessible surface: 388.688  Positive charged surface: 236.836  Negative charged surface: 151.852  Volume: 177.5
  Hydrophobic surface: 129.292  Hydrophilic surface: 259.396
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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.