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PUBCHEM-ZINC03046242

 MMsINC code: MMs02985570
Type: Neutral
Formula: C5H13N2O4P
SMILES:   P(OCC)(OCC)(=O)NC(=O)N
InChI:   InChI=1/C5H13N2O4P/c1-3-10-12(9,11-4-2)7-5(6)8/h3-4H2,1-2H3,(H3,6,7,8,9)

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Potential Energy
Epot(MMFF94)=-64.3554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.143 g/mol  logS: -0.4975  SlogP: -0.2344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137978  Sterimol/B1: 2.60714  Sterimol/B2: 2.6107  Sterimol/B3: 4.41791
  Sterimol/B4: 6.60572  Sterimol/L: 12.2458 
 
 Surface and Volume Properties
  Accessible surface: 400.398  Positive charged surface: 282.715  Negative charged surface: 117.683  Volume: 169.5
  Hydrophobic surface: 196.403  Hydrophilic surface: 203.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.