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ASINEX-ZINC00248755

 MMsINC code: MMs00099064
Type: Neutral
Formula: C11H17NO2
SMILES:   OC(=O)C12CC3(N)CC(C1)CC(C2)C3
InChI:   InChI=1/C11H17NO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6,12H2,(H,13,14)/t7-,8+,10+,11-

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Potential Energy
Epot(MMFF94)=23.6154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.262 g/mol  logS: -1.03203  SlogP: 1.3687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.429953  Sterimol/B1: 2.26898  Sterimol/B2: 3.58014  Sterimol/B3: 3.93399
  Sterimol/B4: 5.89836  Sterimol/L: 10.3272 
 
 Surface and Volume Properties
  Accessible surface: 363.89  Positive charged surface: 275.555  Negative charged surface: 88.3352  Volume: 189.25
  Hydrophobic surface: 228.788  Hydrophilic surface: 135.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.