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PUBCHEM-ZINC06562593

 MMsINC code: MMs03796570
Type: Neutral
Formula: C14H25N
SMILES:   N(C(CC=C)C1CCCCC1)CCC=C
InChI:   InChI=1/C14H25N/c1-3-5-12-15-14(9-4-2)13-10-7-6-8-11-13/h3-4,13-15H,1-2,5-12H2/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=41.3196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.361 g/mol  logS: -2.91505  SlogP: 3.6771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0769755  Sterimol/B1: 2.39763  Sterimol/B2: 2.63487  Sterimol/B3: 3.47075
  Sterimol/B4: 7.48013  Sterimol/L: 14.0621 
 
 Surface and Volume Properties
  Accessible surface: 480.97  Positive charged surface: 351.615  Negative charged surface: 129.355  Volume: 248.625
  Hydrophobic surface: 384.015  Hydrophilic surface: 96.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03796571
PUBCHEM-ZINC06562593