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PUBCHEM-ZINC02023234

MMsINC code: MMs02857199

Type: Neutral
Formula: C12H21N
SMILES:   N(C)(C)C1C2CC3CC1CC(C2)C3
InChI:   InChI=1/C12H21N/c1-13(2)12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12H,3-7H2,1-2H3/t8-,9+,10-,11+,12-

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Potential Energy
Epot(MMFF94)=41.9872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.307 g/mol  logS: -2.18947  SlogP: 2.3727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.348658  Sterimol/B1: 2.43965  Sterimol/B2: 3.75323  Sterimol/B3: 3.99732
  Sterimol/B4: 4.86224  Sterimol/L: 9.7872 
 
 Surface and Volume Properties
  Accessible surface: 372.316  Positive charged surface: 329.752  Negative charged surface: 42.5639  Volume: 199.125
  Hydrophobic surface: 372.081  Hydrophilic surface: 0.23499999999996
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02857200
PUBCHEM-ZINC02023234