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PUBCHEM-ZINC06036886

 MMsINC code: MMs03506839
Type: Ionized
Formula: C5H14N2O4P+
SMILES:   P(O)(O)(=O)CCC(=O)NC([NH3+])C
InChI:   InChI=1/C5H13N2O4P/c1-4(6)7-5(8)2-3-12(9,10)11/h4H,2-3,6H2,1H3,(H,7,8)(H2,9,10,11)/p+1/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-92.9467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.151 g/mol  logS: 1.14958  SlogP: -2.8119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0641779  Sterimol/B1: 2.50244  Sterimol/B2: 3.22764  Sterimol/B3: 3.34185
  Sterimol/B4: 4.17908  Sterimol/L: 13.3574 
 
 Surface and Volume Properties
  Accessible surface: 394.123  Positive charged surface: 271.939  Negative charged surface: 122.184  Volume: 167
  Hydrophobic surface: 137.449  Hydrophilic surface: 256.674
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 1
  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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MMs03506838
PUBCHEM-ZINC06036886