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ENAMINE-ZINC04978662

 MMsINC code: MMs01571136
Type: Neutral
Formula: C14H23NO3
SMILES:   O(C(=O)C1CC1C)CC(=O)N1C(CCCC1C)C
InChI:   InChI=1/C14H23NO3/c1-9-7-12(9)14(17)18-8-13(16)15-10(2)5-4-6-11(15)3/h9-12H,4-8H2,1-3H3/t9-,10+,11+,12+/m0/s1

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Potential Energy
Epot(MMFF94)=80.9206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.342 g/mol  logS: -2.29794  SlogP: 1.9751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676336  Sterimol/B1: 2.09584  Sterimol/B2: 3.52618  Sterimol/B3: 3.61212
  Sterimol/B4: 6.84728  Sterimol/L: 14.5597 
 
 Surface and Volume Properties
  Accessible surface: 503.657  Positive charged surface: 364.201  Negative charged surface: 139.455  Volume: 260.875
  Hydrophobic surface: 401.28  Hydrophilic surface: 102.377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.