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PUBCHEM-ZINC04100369

 MMsINC code: MMs03091532
Type: Neutral
Formula: C10H19NO
SMILES:   OC1CC2N(C(C1)CC2)C(C)C
InChI:   InChI=1/C10H19NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3/t8-,9+,10+

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Potential Energy
Epot(MMFF94)=58.9227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.04507  SlogP: 1.3825  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.288942  Sterimol/B1: 2.57106  Sterimol/B2: 3.34542  Sterimol/B3: 3.92721
  Sterimol/B4: 4.85271  Sterimol/L: 9.94703 
 
 Surface and Volume Properties
  Accessible surface: 358.242  Positive charged surface: 273.836  Negative charged surface: 84.4066  Volume: 182.25
  Hydrophobic surface: 286.517  Hydrophilic surface: 71.725
 
 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


MMs03091533
PUBCHEM-ZINC04100369