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NCID-ZINC05810941

 MMsINC code: MMs02500437
Type: Neutral
Formula: C19H37N
SMILES:   N1C(CCC1CC)CCCCCCCCCCCC=C
InChI:   InChI=1/C19H37N/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-17-16-18(4-2)20-19/h3,18-20H,1,4-17H2,2H3/t18-,19+/m0/s1

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Potential Energy
Epot(MMFF94)=10.5677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.512 g/mol  logS: -6.28264  SlogP: 5.9941  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.018277  Sterimol/B1: 2.19993  Sterimol/B2: 2.93255  Sterimol/B3: 3.17778
  Sterimol/B4: 7.17168  Sterimol/L: 23.2105 
 
 Surface and Volume Properties
  Accessible surface: 672.988  Positive charged surface: 538.075  Negative charged surface: 134.913  Volume: 345.625
  Hydrophobic surface: 591.649  Hydrophilic surface: 81.339
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02500438
NCID-ZINC05810941