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PUBCHEM-ZINC05501102

 MMsINC code: MMs03288632
Type: Neutral
Formula: C12H26NO5P
SMILES:   P(O)(O)(=O)CCCCCCCCCCC(N)C(O)=O
InChI:   InChI=1/C12H26NO5P/c13-11(12(14)15)9-7-5-3-1-2-4-6-8-10-19(16,17)18/h11H,1-10,13H2,(H,14,15)(H2,16,17,18)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=-25.3179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.316 g/mol  logS: -1.9914  SlogP: 1.0167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0258739  Sterimol/B1: 3.15051  Sterimol/B2: 3.28507  Sterimol/B3: 3.36246
  Sterimol/B4: 4.01482  Sterimol/L: 21.1157 
 
 Surface and Volume Properties
  Accessible surface: 590.143  Positive charged surface: 413.922  Negative charged surface: 176.221  Volume: 283.5
  Hydrophobic surface: 309.031  Hydrophilic surface: 281.112
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: no related molecules available.