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PUBCHEM-ZINC03995730

 MMsINC code: MMs03086473
Type: Neutral
Formula: C24H32N2O8
SMILES:   O1C(C)C(O)C(O)C(O)C1Nc1ccc(cc1)-c1ccc(NC2OC(C)C(O)C(O)C2O)cc
1
InChI:   InChI=1/C24H32N2O8/c1-11-17(27)19(29)21(31)23(33-11)25-15-7-3-13(4-8-15)14-5-9-16(10-6-14)26-24-22(32)20(30)18(28)12(2)34-24/h3-12,17-32H,1-2H3/t11-,12+,17-,18-,19+,20-,21+,22-,23-,24+/m1/s1

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Potential Energy
Epot(MMFF94)=202.434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.526 g/mol  logS: -3.18778  SlogP: -0.1676  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.035489  Sterimol/B1: 2.21339  Sterimol/B2: 2.65244  Sterimol/B3: 5.59328
  Sterimol/B4: 7.48091  Sterimol/L: 21.4679 
 
 Surface and Volume Properties
  Accessible surface: 771.846  Positive charged surface: 496.968  Negative charged surface: 263.487  Volume: 437.75
  Hydrophobic surface: 468.678  Hydrophilic surface: 303.168
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 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.