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PUBCHEM-ZINC05425191

 MMsINC code: MMs03266401
Type: Neutral
Formula: C14H20N2
SMILES:   n1ccn(C)c1C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C14H20N2/c1-16-3-2-15-13(16)14-7-10-4-11(8-14)6-12(5-10)9-14/h2-3,10-12H,4-9H2,1H3/t10-,11+,12-,14-

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Potential Energy
Epot(MMFF94)=47.8961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.328 g/mol  logS: -3.26591  SlogP: 3.2471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.235167  Sterimol/B1: 2.22414  Sterimol/B2: 3.75933  Sterimol/B3: 3.76465
  Sterimol/B4: 5.7414  Sterimol/L: 11.35 
 
 Surface and Volume Properties
  Accessible surface: 409.803  Positive charged surface: 336.732  Negative charged surface: 73.0705  Volume: 225.625
  Hydrophobic surface: 380.025  Hydrophilic surface: 29.778
 
 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: no related molecules available.