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NCID-ZINC04744214

 MMsINC code: MMs02399853
Type: Neutral
Formula: C24H30O11
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)c1c(cc(cc
1C)C)C
InChI:   InChI=1/C24H30O11/c1-11-8-12(2)19(13(3)9-11)23(29)35-24-22(33-17(7)28)21(32-16(6)27)20(31-15(5)26)18(34-24)10-30-14(4)25/h8-9,18,20-22,24H,10H2,1-7H3/t18-,20+,21+,22+,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 494.493 g/mol  logS: -5.0227  SlogP: 1.85176  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.212009  Sterimol/B1: 4.01144  Sterimol/B2: 5.65629  Sterimol/B3: 6.53502
  Sterimol/B4: 8.73856  Sterimol/L: 16.3902 
 
 Surface and Volume Properties
  Accessible surface: 793.607  Positive charged surface: 485.743  Negative charged surface: 307.865  Volume: 451.25
  Hydrophobic surface: 648.919  Hydrophilic surface: 144.688
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.