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NCID-ZINC04692187

 MMsINC code: MMs02393807
Type: Neutral
Formula: C11H21NO
SMILES:   OC1C2(CCC(C2(C)C)C1NC)C
InChI:   InChI=1/C11H21NO/c1-10(2)7-5-6-11(10,3)9(13)8(7)12-4/h7-9,12-13H,5-6H2,1-4H3/t7-,8-,9-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=96.0368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -1.4428  SlogP: 1.3914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.418018  Sterimol/B1: 2.86046  Sterimol/B2: 3.62575  Sterimol/B3: 4.53198
  Sterimol/B4: 5.28615  Sterimol/L: 10.0532 
 
 Surface and Volume Properties
  Accessible surface: 378.456  Positive charged surface: 302.111  Negative charged surface: 76.3441  Volume: 203.625
  Hydrophobic surface: 293.444  Hydrophilic surface: 85.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02393808
NCID-ZINC04692187