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ENAMINE-ZINC03491488

 MMsINC code: MMs01471567
Type: Tautomer
Formula: C11H19NO3
SMILES:   OC(=O)C1CCN(CC1)C(=O)C(C)(C)C
InChI:   InChI=1/C11H19NO3/c1-11(2,3)10(15)12-6-4-8(5-7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=60.2029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -0.57449  SlogP: 1.3557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150312  Sterimol/B1: 2.87676  Sterimol/B2: 3.79699  Sterimol/B3: 3.97804
  Sterimol/B4: 4.17149  Sterimol/L: 12.4277 
 
 Surface and Volume Properties
  Accessible surface: 412.032  Positive charged surface: 287.238  Negative charged surface: 124.794  Volume: 210.375
  Hydrophobic surface: 246.033  Hydrophilic surface: 165.999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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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Parent related molecule:


MMs01471566
ENAMINE-ZINC03491488