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PUBCHEM-ZINC06159713

 MMsINC code: MMs03570817
Type: Neutral
Formula: C23H42N2O4
SMILES:   O(C(=O)C(NC(=O)CCC(=O)NC1CCCCCCCCCCC1)CC(C)C)C
InChI:   InChI=1/C23H42N2O4/c1-18(2)17-20(23(28)29-3)25-22(27)16-15-21(26)24-19-13-11-9-7-5-4-6-8-10-12-14-19/h18-20H,4-17H2,1-3H3,(H,24,26)(H,25,27)/t20-/m1/s1

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Potential Energy
Epot(MMFF94)=113.076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.599 g/mol  logS: -6.22957  SlogP: 4.26  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0796815  Sterimol/B1: 3.38524  Sterimol/B2: 3.44672  Sterimol/B3: 6.50558
  Sterimol/B4: 7.47375  Sterimol/L: 21.2021 
 
 Surface and Volume Properties
  Accessible surface: 751.724  Positive charged surface: 581.622  Negative charged surface: 170.103  Volume: 430.625
  Hydrophobic surface: 619.099  Hydrophilic surface: 132.625
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.