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NCID-ZINC05492879

 MMsINC code: MMs02466318
Type: Neutral
Formula: C24H46N2O6
SMILES:   O1CC(NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C)C(O)C(O)C1OC
InChI:   InChI=1/C24H46N2O6/c1-18(2)14-12-10-8-6-4-5-7-9-11-13-15-20(27)25-16-21(28)26-19-17-32-24(31-3)23(30)22(19)29/h18-19,22-24,29-30H,4-17H2,1-3H3,(H,25,27)(H,26,28)/t19-,22+,23+,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.3614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.64 g/mol  logS: -6.75244  SlogP: 2.6491  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0117975  Sterimol/B1: 2.57602  Sterimol/B2: 3.45488  Sterimol/B3: 3.9653
  Sterimol/B4: 6.73369  Sterimol/L: 30.9191 
 
 Surface and Volume Properties
  Accessible surface: 909.704  Positive charged surface: 741.175  Negative charged surface: 168.529  Volume: 478.625
  Hydrophobic surface: 685.331  Hydrophilic surface: 224.373
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.