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NCID-ZINC01720911

 MMsINC code: MMs02345814
Type: Ionized
Formula: C5H16N2O3P+
SMILES:   P(O)(O)(=O)C(N)CCCC[NH3+]
InChI:   InChI=1/C5H15N2O3P/c6-4-2-1-3-5(7)11(8,9)10/h5H,1-4,6-7H2,(H2,8,9,10)/p+1/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=-22.2902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.168 g/mol  logS: 1.23461  SlogP: -2.2091  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0830155  Sterimol/B1: 2.57499  Sterimol/B2: 3.69699  Sterimol/B3: 3.92588
  Sterimol/B4: 4.02752  Sterimol/L: 12.1544 
 
 Surface and Volume Properties
  Accessible surface: 388.711  Positive charged surface: 299.853  Negative charged surface: 88.8585  Volume: 167.25
  Hydrophobic surface: 130.156  Hydrophilic surface: 258.555
 
 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:


MMs02345813
NCID-ZINC01720911