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PUBCHEM-ZINC05497834

 MMsINC code: MMs03287161
Type: Neutral
Formula: C11H19NO3
SMILES:   OC(=O)C1NC(CC(C1)C)CC(=O)CC
InChI:   InChI=1/C11H19NO3/c1-3-9(13)6-8-4-7(2)5-10(12-8)11(14)15/h7-8,10,12H,3-6H2,1-2H3,(H,14,15)/t7-,8+,10+/m1/s1

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Potential Energy
Epot(MMFF94)=42.0298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -1.04509  SlogP: 1.1969  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.147142  Sterimol/B1: 2.9909  Sterimol/B2: 3.65812  Sterimol/B3: 4.0902
  Sterimol/B4: 5.77695  Sterimol/L: 12.4716 
 
 Surface and Volume Properties
  Accessible surface: 436.297  Positive charged surface: 308.077  Negative charged surface: 128.219  Volume: 213.625
  Hydrophobic surface: 264.281  Hydrophilic surface: 172.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.