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PUBCHEM-ZINC05524966

 MMsINC code: MMs03297252
Type: Neutral
Formula: C9H21N2O4P
SMILES:   P(O)(=O)(CCNCCCC(O)=O)CN(C)C
InChI:   InChI=1/C9H21N2O4P/c1-11(2)8-16(14,15)7-6-10-5-3-4-9(12)13/h10H,3-8H2,1-2H3,(H,12,13)(H,14,15)

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Potential Energy
Epot(MMFF94)=26.7128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.251 g/mol  logS: 1.5385  SlogP: -0.8399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300099  Sterimol/B1: 2.44952  Sterimol/B2: 2.59611  Sterimol/B3: 4.03001
  Sterimol/B4: 4.59408  Sterimol/L: 18.3168 
 
 Surface and Volume Properties
  Accessible surface: 508.158  Positive charged surface: 395.818  Negative charged surface: 112.34  Volume: 239.625
  Hydrophobic surface: 325.283  Hydrophilic surface: 182.875
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules


MMs03297253
PUBCHEM-ZINC05524966