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CHEMBRIDGE-ZINC04958052

 MMsINC code: MMs00815730
Type: Neutral
Formula: C14H23NO2
SMILES:   OC(=O)CCC(N)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C14H23NO2/c15-12(1-2-13(16)17)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-12H,1-8,15H2,(H,16,17)/t9-,10+,11-,12-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=38.3221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.343 g/mol  logS: -3.07915  SlogP: 2.3949  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177356  Sterimol/B1: 3.00646  Sterimol/B2: 3.48809  Sterimol/B3: 4.58957
  Sterimol/B4: 4.83407  Sterimol/L: 13.1872 
 
 Surface and Volume Properties
  Accessible surface: 435.314  Positive charged surface: 333.07  Negative charged surface: 102.245  Volume: 239.125
  Hydrophobic surface: 298.314  Hydrophilic surface: 137
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.