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PUBCHEM-ZINC04481079

 MMsINC code: MMs03125298
Type: Neutral
Formula: C19H35N
SMILES:   N1(CCCCC1)CC(C\C=C(\CCC=C(C)C)/C)(C)C
InChI:   InChI=1/C19H35N/c1-17(2)10-9-11-18(3)12-13-19(4,5)16-20-14-7-6-8-15-20/h10,12H,6-9,11,13-16H2,1-5H3/b18-12-

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Potential Energy
Epot(MMFF94)=76.0137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.496 g/mol  logS: -4.3676  SlogP: 5.5813  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0790531  Sterimol/B1: 2.23431  Sterimol/B2: 4.13685  Sterimol/B3: 4.91305
  Sterimol/B4: 6.76703  Sterimol/L: 15.916 
 
 Surface and Volume Properties
  Accessible surface: 586.634  Positive charged surface: 439.37  Negative charged surface: 147.263  Volume: 334.5
  Hydrophobic surface: 538.416  Hydrophilic surface: 48.218
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03125299
PUBCHEM-ZINC04481079