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PUBCHEM-ZINC05668482

 MMsINC code: MMs03340948
Type: Neutral
Formula: C15H23N
SMILES:   N#C\C=C(\C(CC=C(C)C)CC=C(C)C)/C
InChI:   InChI=1/C15H23N/c1-12(2)6-8-15(9-7-13(3)4)14(5)10-11-16/h6-7,10,15H,8-9H2,1-5H3/b14-10-

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Potential Energy
Epot(MMFF94)=66.2684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.356 g/mol  logS: -4.83266  SlogP: 4.78508  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16098  Sterimol/B1: 2.52969  Sterimol/B2: 3.56193  Sterimol/B3: 4.83596
  Sterimol/B4: 5.91047  Sterimol/L: 14.0929 
 
 Surface and Volume Properties
  Accessible surface: 484.69  Positive charged surface: 310.465  Negative charged surface: 174.225  Volume: 260.75
  Hydrophobic surface: 405.311  Hydrophilic surface: 79.379
 
 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.