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ENAMINE-ZINC03238355

 MMsINC code: MMs01323302
Type: Neutral
Formula: C13H21NO3
SMILES:   O(C(=O)C1CC1)CC(=O)N1C(CCCC1C)C
InChI:   InChI=1/C13H21NO3/c1-9-4-3-5-10(2)14(9)12(15)8-17-13(16)11-6-7-11/h9-11H,3-8H2,1-2H3/t9-,10+

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Potential Energy
Epot(MMFF94)=204.089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.315 g/mol  logS: -1.78272  SlogP: 1.7291  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0853448  Sterimol/B1: 2.11271  Sterimol/B2: 2.80609  Sterimol/B3: 3.50061
  Sterimol/B4: 7.08381  Sterimol/L: 13.6668 
 
 Surface and Volume Properties
  Accessible surface: 474.108  Positive charged surface: 332.127  Negative charged surface: 141.981  Volume: 240
  Hydrophobic surface: 339.241  Hydrophilic surface: 134.867
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.