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PUBCHEM-ZINC06021083

 MMsINC code: MMs03496308
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-/m0/s1

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Potential Energy
Epot(MMFF94)=-92.7897 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: 0.0667265  Sterimol/B1: 2.55975  Sterimol/B2: 3.04575  Sterimol/B3: 3.24347
  Sterimol/B4: 4.1703  Sterimol/L: 13.3927 
 
 Surface and Volume Properties
  Accessible surface: 391.655  Positive charged surface: 269.083  Negative charged surface: 122.572  Volume: 167.875
  Hydrophobic surface: 137.663  Hydrophilic surface: 253.992
 
 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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MMs03496307
PUBCHEM-ZINC06021083