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NCID-ZINC01720910

 MMsINC code: MMs02345812
Type: Ionized
Formula: C4H14N2O3P+
SMILES:   P(O)(O)(=O)C(N)CCC[NH3+]
InChI:   InChI=1/C4H13N2O3P/c5-3-1-2-4(6)10(7,8)9/h4H,1-3,5-6H2,(H2,7,8,9)/p+1/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=-21.4868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.141 g/mol  logS: 1.43638  SlogP: -2.5992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0981687  Sterimol/B1: 2.61151  Sterimol/B2: 3.77899  Sterimol/B3: 3.9629
  Sterimol/B4: 4.3419  Sterimol/L: 11.0352 
 
 Surface and Volume Properties
  Accessible surface: 357.367  Positive charged surface: 271.442  Negative charged surface: 85.9251  Volume: 149.625
  Hydrophobic surface: 99.7592  Hydrophilic surface: 257.6078
 
 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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Parent related molecule:


MMs02345811
NCID-ZINC01720910