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PUBCHEM-ZINC05512601

 MMsINC code: MMs03292782
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-/m0/s1

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Potential Energy
Epot(MMFF94)=12.9612 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: 0.0173249  Sterimol/B1: 2.30545  Sterimol/B2: 2.72983  Sterimol/B3: 3.61419
  Sterimol/B4: 5.4563  Sterimol/L: 26.6368 
 
 Surface and Volume Properties
  Accessible surface: 712.145  Positive charged surface: 577.672  Negative charged surface: 134.473  Volume: 355.125
  Hydrophobic surface: 560.68  Hydrophilic surface: 151.465
 
 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.