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NCID-ZINC05812046

 MMsINC code: MMs02501271
Type: Neutral
Formula: C23H42N2O9
SMILES:   O1CCOCCOCCOCCOCCOC(C(O)=O)C1C(=O)NC1CC(NC(C1)(C)C)(C)C
InChI:   InChI=1/C23H42N2O9/c1-22(2)15-17(16-23(3,4)25-22)24-20(26)18-19(21(27)28)34-14-12-32-10-8-30-6-5-29-7-9-31-11-13-33-18/h17-19,25H,5-16H2,1-4H3,(H,24,26)(H,27,28)/t18-,19+/m0/s1

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Potential Energy
Epot(MMFF94)=162.038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.594 g/mol  logS: -2.39179  SlogP: 0.3468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.372997  Sterimol/B1: 3.58929  Sterimol/B2: 3.91045  Sterimol/B3: 8.19349
  Sterimol/B4: 8.554  Sterimol/L: 15.8869 
 
 Surface and Volume Properties
  Accessible surface: 767.517  Positive charged surface: 632.614  Negative charged surface: 134.903  Volume: 474.25
  Hydrophobic surface: 574.126  Hydrophilic surface: 193.391
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 10  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.