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COMGENEX-ZINC06676422

 MMsINC code: MMs01178790
Type: Neutral
Formula: C16H23NO3
SMILES:   O1CC(CC1)CN(C(=O)c1ccoc1)C1CCCCC1
InChI:   InChI=1/C16H23NO3/c18-16(14-7-9-20-12-14)17(10-13-6-8-19-11-13)15-4-2-1-3-5-15/h7,9,12-13,15H,1-6,8,10-11H2/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=249.949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.364 g/mol  logS: -3.06439  SlogP: 3.091  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158636  Sterimol/B1: 2.59777  Sterimol/B2: 3.72994  Sterimol/B3: 4.09535
  Sterimol/B4: 7.51505  Sterimol/L: 12.9433 
 
 Surface and Volume Properties
  Accessible surface: 476.891  Positive charged surface: 330.865  Negative charged surface: 146.026  Volume: 272.625
  Hydrophobic surface: 424.779  Hydrophilic surface: 52.112
 
 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.