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PUBCHEM-ZINC06403989

 MMsINC code: MMs03708578
Type: Neutral
Formula: C8H20NO3P
SMILES:   P(OCC)(OCC)(=O)C(N)C(C)C
InChI:   InChI=1/C8H20NO3P/c1-5-11-13(10,12-6-2)8(9)7(3)4/h7-8H,5-6,9H2,1-4H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=56.9294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.226 g/mol  logS: -0.56864  SlogP: 1.1231  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145775  Sterimol/B1: 2.83302  Sterimol/B2: 3.17478  Sterimol/B3: 3.58089
  Sterimol/B4: 7.36653  Sterimol/L: 11.5364 
 
 Surface and Volume Properties
  Accessible surface: 426.993  Positive charged surface: 314.317  Negative charged surface: 112.677  Volume: 207.125
  Hydrophobic surface: 280.687  Hydrophilic surface: 146.306
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: no related molecules available.