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PUBCHEM-ZINC05524175

 MMsINC code: MMs03297045
Type: Neutral
Formula: C9H22NO3P
SMILES:   P(O)(O)(=O)C(N(C)C)CCCCCC
InChI:   InChI=1/C9H22NO3P/c1-4-5-6-7-8-9(10(2)3)14(11,12)13/h9H,4-8H2,1-3H3,(H2,11,12,13)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=18.2617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.253 g/mol  logS: -1.2895  SlogP: 0.952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0752619  Sterimol/B1: 3.44731  Sterimol/B2: 3.82485  Sterimol/B3: 3.85815
  Sterimol/B4: 4.10571  Sterimol/L: 14.5739 
 
 Surface and Volume Properties
  Accessible surface: 452.709  Positive charged surface: 362.66  Negative charged surface: 90.0485  Volume: 223.125
  Hydrophobic surface: 323.531  Hydrophilic surface: 129.178
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.