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CHEMBRIDGE-ZINC00211786

 MMsINC code: MMs00596100
Type: Neutral
Formula: C11H15NO2
SMILES:   O=C1C2CC3(CC1CC(C3)C2)C(=O)N
InChI:   InChI=1/C11H15NO2/c12-10(14)11-3-6-1-7(4-11)9(13)8(2-6)5-11/h6-8H,1-5H2,(H2,12,14)/t6-,7-,8+,11-

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Potential Energy
Epot(MMFF94)=32.1403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.246 g/mol  logS: -1.1896  SlogP: 0.8671  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.461829  Sterimol/B1: 2.61398  Sterimol/B2: 3.21638  Sterimol/B3: 4.92611
  Sterimol/B4: 5.04498  Sterimol/L: 9.85493 
 
 Surface and Volume Properties
  Accessible surface: 352.243  Positive charged surface: 244.041  Negative charged surface: 108.202  Volume: 182.75
  Hydrophobic surface: 224.537  Hydrophilic surface: 127.706
 
 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.