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PUBCHEM-ZINC05851251

 MMsINC code: MMs03416866
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-/m0/s1

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Potential Energy
Epot(MMFF94)=-54.9906 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: 0.163263  Sterimol/B1: 2.52835  Sterimol/B2: 3.11909  Sterimol/B3: 4.2524
  Sterimol/B4: 4.6812  Sterimol/L: 11.1157 
 
 Surface and Volume Properties
  Accessible surface: 366.034  Positive charged surface: 194.95  Negative charged surface: 171.084  Volume: 154.875
  Hydrophobic surface: 184.911  Hydrophilic surface: 181.123
 
 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


MMs03416867
PUBCHEM-ZINC05851251