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ASINEX-ZINC04110870

 MMsINC code: MMs00304170
Type: Neutral
Formula: C16H27NO3
SMILES:   O1C2(CCCCC2)C(CC1=O)C(=O)N(C(C)C)C(C)C
InChI:   InChI=1/C16H27NO3/c1-11(2)17(12(3)4)15(19)13-10-14(18)20-16(13)8-6-5-7-9-16/h11-13H,5-10H2,1-4H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=54.7896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.396 g/mol  logS: -2.63251  SlogP: 2.8978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.331021  Sterimol/B1: 3.27144  Sterimol/B2: 4.5602  Sterimol/B3: 4.93035
  Sterimol/B4: 5.74724  Sterimol/L: 11.8447 
 
 Surface and Volume Properties
  Accessible surface: 487.664  Positive charged surface: 326.273  Negative charged surface: 161.39  Volume: 290.125
  Hydrophobic surface: 351.652  Hydrophilic surface: 136.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.