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PUBCHEM-ZINC05462024

 MMsINC code: MMs03276696
Type: Neutral
Formula: C20H41NO
SMILES:   O=C(N(CCCCCC)CCCCCC)C(CCCC)CC
InChI:   InChI=1/C20H41NO/c1-5-9-12-14-17-21(18-15-13-10-6-2)20(22)19(8-4)16-11-7-3/h19H,5-18H2,1-4H3/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=27.4885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.554 g/mol  logS: -6.27818  SlogP: 6.192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0949923  Sterimol/B1: 3.05877  Sterimol/B2: 5.20893  Sterimol/B3: 7.15938
  Sterimol/B4: 9.03983  Sterimol/L: 17.3044 
 
 Surface and Volume Properties
  Accessible surface: 703.726  Positive charged surface: 552.757  Negative charged surface: 150.97  Volume: 375.875
  Hydrophobic surface: 600.236  Hydrophilic surface: 103.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.