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PUBCHEM-ZINC05512460

 MMsINC code: MMs03292742
Type: Neutral
Formula: C19H37NO
SMILES:   O=C(N)CCCCCCCCCC1CC1CCCCCC
InChI:   InChI=1/C19H37NO/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H2,20,21)/t17-,18+/m1/s1

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Potential Energy
Epot(MMFF94)=14.6359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.511 g/mol  logS: -8.21971  SlogP: 5.5891  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.014148  Sterimol/B1: 2.52127  Sterimol/B2: 2.66085  Sterimol/B3: 3.39231
  Sterimol/B4: 7.98977  Sterimol/L: 24.5296 
 
 Surface and Volume Properties
  Accessible surface: 695.457  Positive charged surface: 566.685  Negative charged surface: 128.771  Volume: 353
  Hydrophobic surface: 546.361  Hydrophilic surface: 149.096
 
 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: no related molecules available.