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ENAMINE-ZINC06052833

 MMsINC code: MMs01652013
Type: Neutral
Formula: C17H27NO2
SMILES:   OCC1N(CCC1)C(=O)CC12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C17H27NO2/c19-11-15-2-1-3-18(15)16(20)10-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15,19H,1-11H2/t12-,13+,14-,15-,17-/m1/s1

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Potential Energy
Epot(MMFF94)=69.7225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.408 g/mol  logS: -4.54695  SlogP: 2.5762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125048  Sterimol/B1: 2.30761  Sterimol/B2: 3.89398  Sterimol/B3: 3.99664
  Sterimol/B4: 5.68518  Sterimol/L: 13.4974 
 
 Surface and Volume Properties
  Accessible surface: 499.902  Positive charged surface: 424.788  Negative charged surface: 75.114  Volume: 284.25
  Hydrophobic surface: 448.75  Hydrophilic surface: 51.152
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.