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CHEMDIV-ZINC04760399

 MMsINC code: MMs00948266
Type: Neutral
Formula: C26H24F2N2O4
SMILES:   Fc1ccccc1C1N(C)C(=O)c2c(cc(OC)c(OC)c2)C1C(=O)Nc1cc(F)c(cc1)C
InChI:   InChI=1/C26H24F2N2O4/c1-14-9-10-15(11-20(14)28)29-25(31)23-17-12-21(33-3)22(34-4)13-18(17)26(32)30(2)24(23)16-7-5-6-8-19(16)27/h5-13,23-24H,1-4H3,(H,29,31)/t23-,24+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.484 g/mol  logS: -6.09897  SlogP: 4.93512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221885  Sterimol/B1: 4.69203  Sterimol/B2: 5.00642  Sterimol/B3: 5.3493
  Sterimol/B4: 6.82504  Sterimol/L: 17.0121 
 
 Surface and Volume Properties
  Accessible surface: 721.091  Positive charged surface: 476.318  Negative charged surface: 244.773  Volume: 422.125
  Hydrophobic surface: 662.346  Hydrophilic surface: 58.745
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.