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PUBCHEM-ZINC05837473

 MMsINC code: MMs03408793
Type: Neutral
Formula: C7H17N2O4P
SMILES:   P(O)(O)(=O)C(NC(=O)C(N)CCC)C
InChI:   InChI=1/C7H17N2O4P/c1-3-4-6(8)7(10)9-5(2)14(11,12)13/h5-6H,3-4,8H2,1-2H3,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1

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Potential Energy
Epot(MMFF94)=-2.93107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.197 g/mol  logS: -0.03709  SlogP: -1.3165  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114486  Sterimol/B1: 2.40693  Sterimol/B2: 3.164  Sterimol/B3: 3.86302
  Sterimol/B4: 6.00679  Sterimol/L: 12.72 
 
 Surface and Volume Properties
  Accessible surface: 437.897  Positive charged surface: 290.979  Negative charged surface: 146.919  Volume: 200.75
  Hydrophobic surface: 187.155  Hydrophilic surface: 250.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03408794
PUBCHEM-ZINC05837473