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NCID-ZINC01728866

 MMsINC code: MMs02352108
Type: Neutral
Formula: C14H19N
SMILES:   N#CC1C2C(C3CC(C2)C3(C)C)=CCC1
InChI:   InChI=1/C14H19N/c1-14(2)10-6-12-9(8-15)4-3-5-11(12)13(14)7-10/h5,9-10,12-13H,3-4,6-7H2,1-2H3/t9-,10+,12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=99.589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.313 g/mol  logS: -3.87575  SlogP: 3.52858  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.25012  Sterimol/B1: 3.55909  Sterimol/B2: 3.77702  Sterimol/B3: 3.95819
  Sterimol/B4: 4.72349  Sterimol/L: 11.17 
 
 Surface and Volume Properties
  Accessible surface: 408.267  Positive charged surface: 222.749  Negative charged surface: 116.333  Volume: 219.25
  Hydrophobic surface: 296.606  Hydrophilic surface: 111.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.