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PUBCHEM-ZINC05157697

 MMsINC code: MMs03214089
Type: Neutral
Formula: C19H35N
SMILES:   N1C(CCC1CCCCC=C)CCCCCCCC=C
InChI:   InChI=1/C19H35N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h3-4,18-20H,1-2,5-17H2/t18-,19+/m0/s1

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Potential Energy
Epot(MMFF94)=16.5454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.496 g/mol  logS: -5.93004  SlogP: 5.7701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0285631  Sterimol/B1: 2.55523  Sterimol/B2: 3.5992  Sterimol/B3: 4.16872
  Sterimol/B4: 8.23348  Sterimol/L: 20.3886 
 
 Surface and Volume Properties
  Accessible surface: 675.126  Positive charged surface: 517.31  Negative charged surface: 157.816  Volume: 339.5
  Hydrophobic surface: 562.479  Hydrophilic surface: 112.647
 
 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


MMs03214090
PUBCHEM-ZINC05157697