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CHEMDIV-ZINC06738080

 MMsINC code: MMs01006368
Type: Neutral
Formula: C15H22N2O2
SMILES:   o1nc(cc1C(=O)N1CC2(CC(CC1C2)(C)C)C)C
InChI:   InChI=1/C15H22N2O2/c1-10-5-12(19-16-10)13(18)17-9-15(4)7-11(17)6-14(2,3)8-15/h5,11H,6-9H2,1-4H3/t11-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=73.665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.353 g/mol  logS: -2.95098  SlogP: 3.02382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163704  Sterimol/B1: 3.15924  Sterimol/B2: 4.22971  Sterimol/B3: 4.86297
  Sterimol/B4: 5.19901  Sterimol/L: 13.7861 
 
 Surface and Volume Properties
  Accessible surface: 487.679  Positive charged surface: 325.406  Negative charged surface: 162.273  Volume: 265.875
  Hydrophobic surface: 376.581  Hydrophilic surface: 111.098
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.