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PUBCHEM-ZINC03160281

 MMsINC code: MMs03003259
Type: Neutral
Formula: C11H24NO4P
SMILES:   P(OCC)(OCC)(=O)C(=O)N(C(C)C)C(C)C
InChI:   InChI=1/C11H24NO4P/c1-7-15-17(14,16-8-2)11(13)12(9(3)4)10(5)6/h9-10H,7-8H2,1-6H3

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Potential Energy
Epot(MMFF94)=53.7282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.29 g/mol  logS: -1.69718  SlogP: 2.4211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176043  Sterimol/B1: 2.09325  Sterimol/B2: 2.92909  Sterimol/B3: 5.15094
  Sterimol/B4: 7.94042  Sterimol/L: 12.6687 
 
 Surface and Volume Properties
  Accessible surface: 504.004  Positive charged surface: 348.814  Negative charged surface: 155.19  Volume: 263.25
  Hydrophobic surface: 340.282  Hydrophilic surface: 163.722
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.