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CHEMBRIDGE-ZINC00308748

 MMsINC code: MMs00605763
Type: Neutral
Formula: C17H27NO2
SMILES:   O=C1CC2(CCC1(C)C2(C)C)C(=O)NC1CCCCC1
InChI:   InChI=1/C17H27NO2/c1-15(2)16(3)9-10-17(15,11-13(16)19)14(20)18-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,18,20)/t16-,17+/m1/s1

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Potential Energy
Epot(MMFF94)=66.7129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.408 g/mol  logS: -2.97024  SlogP: 3.2208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115275  Sterimol/B1: 1.969  Sterimol/B2: 3.64278  Sterimol/B3: 4.70932
  Sterimol/B4: 5.84331  Sterimol/L: 15.0735 
 
 Surface and Volume Properties
  Accessible surface: 506.35  Positive charged surface: 358.412  Negative charged surface: 147.938  Volume: 291
  Hydrophobic surface: 402.931  Hydrophilic surface: 103.419
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.