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PUBCHEM-ZINC06021078

 MMsINC code: MMs03496302
Type: Neutral
Formula: C3H9N2O5P
SMILES:   P(OC(N(N=O)C)C)(O)(O)=O
InChI:   InChI=1/C3H9N2O5P/c1-3(5(2)4-6)10-11(7,8)9/h3H,1-2H3,(H2,7,8,9)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-58.0256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.088 g/mol  logS: 0.41619  SlogP: -1.0153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168133  Sterimol/B1: 1.969  Sterimol/B2: 2.38219  Sterimol/B3: 3.87736
  Sterimol/B4: 5.50204  Sterimol/L: 10.3832 
 
 Surface and Volume Properties
  Accessible surface: 346.119  Positive charged surface: 186.203  Negative charged surface: 159.917  Volume: 139.5
  Hydrophobic surface: 182.52  Hydrophilic surface: 163.599
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03496303
PUBCHEM-ZINC06021078