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PUBCHEM-ZINC05501381

 MMsINC code: MMs03288845
Type: Ionized
Formula: C6H19N2O3PS+2
SMILES:   S(P(O)(O)=O)CC([NH3+])CCCC[NH3+]
InChI:   InChI=1/C6H17N2O3PS/c7-4-2-1-3-6(8)5-13-12(9,10)11/h6H,1-5,7-8H2,(H2,9,10,11)/p+2/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=-58.5566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.269 g/mol  logS: 0.03593  SlogP: -2.2352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0966788  Sterimol/B1: 2.73799  Sterimol/B2: 3.52355  Sterimol/B3: 3.95766
  Sterimol/B4: 4.11154  Sterimol/L: 13.8815 
 
 Surface and Volume Properties
  Accessible surface: 455.588  Positive charged surface: 342.311  Negative charged surface: 113.276  Volume: 208.25
  Hydrophobic surface: 155.497  Hydrophilic surface: 300.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 2
  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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MMs03288844
PUBCHEM-ZINC05501381