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CHEMDIV-ZINC02116421

 MMsINC code: MMs00870818
Type: Neutral
Formula: C15H23NO2
SMILES:   o1cccc1CN(C(CCC=C(C)C)C)C(=O)C
InChI:   InChI=1/C15H23NO2/c1-12(2)7-5-8-13(3)16(14(4)17)11-15-9-6-10-18-15/h6-7,9-10,13H,5,8,11H2,1-4H3/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=62.2745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.354 g/mol  logS: -3.37878  SlogP: 4.0294  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.258237  Sterimol/B1: 2.17991  Sterimol/B2: 2.3913  Sterimol/B3: 6.17436
  Sterimol/B4: 7.39605  Sterimol/L: 11.8238 
 
 Surface and Volume Properties
  Accessible surface: 485.958  Positive charged surface: 307.113  Negative charged surface: 178.845  Volume: 269.25
  Hydrophobic surface: 419.628  Hydrophilic surface: 66.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.