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PUBCHEM-ZINC05820590

 MMsINC code: MMs03399557
Type: Neutral
Formula: C19H37NO2
SMILES:   OC(=O)CCCCCCC1C(CCCC1N)CCCCCC
InChI:   InChI=1/C19H37NO2/c1-2-3-4-7-11-16-12-10-14-18(20)17(16)13-8-5-6-9-15-19(21)22/h16-18H,2-15,20H2,1H3,(H,21,22)/t16-,17+,18+/m0/s1

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Potential Energy
Epot(MMFF94)=20.6889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.51 g/mol  logS: -5.54588  SlogP: 5.1256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0838131  Sterimol/B1: 2.25363  Sterimol/B2: 3.47626  Sterimol/B3: 3.88545
  Sterimol/B4: 10.9406  Sterimol/L: 17.1565 
 
 Surface and Volume Properties
  Accessible surface: 662.716  Positive charged surface: 524.016  Negative charged surface: 138.7  Volume: 350.5
  Hydrophobic surface: 489.047  Hydrophilic surface: 173.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.