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AURORAFEINCHEMIE-ZINC02139979

 MMsINC code: MMs00451438
Type: Neutral
Formula: C11H24NO5P
SMILES:   P(OCC)(OCC)(=O)CCCCCC(N)C(O)=O
InChI:   InChI=1/C11H24NO5P/c1-3-16-18(15,17-4-2)9-7-5-6-8-10(12)11(13)14/h10H,3-9,12H2,1-2H3,(H,13,14)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=20.7354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.289 g/mol  logS: -0.76008  SlogP: 1.1546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.03355  Sterimol/B1: 2.10175  Sterimol/B2: 2.6315  Sterimol/B3: 4.00034
  Sterimol/B4: 7.97025  Sterimol/L: 17.6134 
 
 Surface and Volume Properties
  Accessible surface: 573.058  Positive charged surface: 418.019  Negative charged surface: 155.039  Volume: 271.625
  Hydrophobic surface: 347.725  Hydrophilic surface: 225.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.