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NCID-ZINC05607271

 MMsINC code: MMs02479956
Type: Neutral
Formula: C23H19FN2O7
SMILES:   FC1=CN(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2)C(=O)NC1=O
InChI:   InChI=1/C23H19FN2O7/c24-16-12-26(23(30)25-20(16)27)19-11-17(33-22(29)15-9-5-2-6-10-15)18(32-19)13-31-21(28)14-7-3-1-4-8-14/h1-10,12,17-19H,11,13H2,(H,25,27,30)/t17-,18+,19-/m1/s1

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Potential Energy
Epot(MMFF94)=84.5581 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.41 g/mol  logS: -5.42242  SlogP: 2.6556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120571  Sterimol/B1: 3.17363  Sterimol/B2: 3.48609  Sterimol/B3: 4.68825
  Sterimol/B4: 11.3657  Sterimol/L: 17.9776 
 
 Surface and Volume Properties
  Accessible surface: 737.266  Positive charged surface: 392.384  Negative charged surface: 344.883  Volume: 393.375
  Hydrophobic surface: 550.128  Hydrophilic surface: 187.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.