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NCID-ZINC01582595

 MMsINC code: MMs02239633
Type: Neutral
Formula: C11H19NO3
SMILES:   O(C(=O)C(NC(=O)C)CC(C(C)=C)C)C
InChI:   InChI=1/C11H19NO3/c1-7(2)8(3)6-10(11(14)15-5)12-9(4)13/h8,10H,1,6H2,2-5H3,(H,12,13)/t8-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=55.2726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -2.23108  SlogP: 1.2664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19796  Sterimol/B1: 2.14258  Sterimol/B2: 4.27393  Sterimol/B3: 5.08486
  Sterimol/B4: 6.29876  Sterimol/L: 11.8242 
 
 Surface and Volume Properties
  Accessible surface: 453.307  Positive charged surface: 316.364  Negative charged surface: 136.944  Volume: 222.5
  Hydrophobic surface: 335.377  Hydrophilic surface: 117.93
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.