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PUBCHEM-ZINC05851222

 MMsINC code: MMs03416847
Type: Neutral
Formula: C4H11N2O5P
SMILES:   P(OC(N(N=O)CC)C)(O)(O)=O
InChI:   InChI=1/C4H11N2O5P/c1-3-6(5-7)4(2)11-12(8,9)10/h4H,3H2,1-2H3,(H2,8,9,10)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-55.6928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.115 g/mol  logS: 0.08898  SlogP: -0.6252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162404  Sterimol/B1: 2.39184  Sterimol/B2: 3.16647  Sterimol/B3: 3.64671
  Sterimol/B4: 5.67675  Sterimol/L: 9.8405 
 
 Surface and Volume Properties
  Accessible surface: 362.011  Positive charged surface: 194.901  Negative charged surface: 167.109  Volume: 156.25
  Hydrophobic surface: 186.197  Hydrophilic surface: 175.814
 
 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


MMs03416848
PUBCHEM-ZINC05851222