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ENAMINE-ZINC03205960

 MMsINC code: MMs01305927
Type: Neutral
Formula: C11H14NO5P
SMILES:   P(OCC)(OCC)(=O)C(C(=O)c1occc1)C#N
InChI:   InChI=1/C11H14NO5P/c1-3-16-18(14,17-4-2)10(8-12)11(13)9-6-5-7-15-9/h5-7,10H,3-4H2,1-2H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=-1.16999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.209 g/mol  logS: -2.49399  SlogP: 1.55038  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0836921  Sterimol/B1: 2.15013  Sterimol/B2: 2.95777  Sterimol/B3: 4.34209
  Sterimol/B4: 8.78768  Sterimol/L: 14.5882 
 
 Surface and Volume Properties
  Accessible surface: 507.752  Positive charged surface: 283.772  Negative charged surface: 223.979  Volume: 239.5
  Hydrophobic surface: 338.583  Hydrophilic surface: 169.169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.