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CHEMBRIDGE-ZINC04010653

 MMsINC code: MMs00758893
Type: Neutral
Formula: C13H21NO
SMILES:   O=CNC12CC3(CC(C1)(CC(C3)C2)C)C
InChI:   InChI=1/C13H21NO/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)14-9-15/h9-10H,3-8H2,1-2H3,(H,14,15)/t10-,11+,12-,13-

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Potential Energy
Epot(MMFF94)=50.8543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.317 g/mol  logS: -3.51631  SlogP: 2.4814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.450191  Sterimol/B1: 2.06422  Sterimol/B2: 2.57479  Sterimol/B3: 5.14952
  Sterimol/B4: 7.00175  Sterimol/L: 10.9263 
 
 Surface and Volume Properties
  Accessible surface: 392.51  Positive charged surface: 307.634  Negative charged surface: 84.8755  Volume: 218.375
  Hydrophobic surface: 286.232  Hydrophilic surface: 106.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.