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CHEMDIV-ZINC04759630

 MMsINC code: MMs00947841
Type: Neutral
Formula: C26H22F2N2O5
SMILES:   Fc1cc(F)ccc1NC(=O)C1CCC(=O)N(C1c1ccc(OC)cc1)c1cc2OCOc2cc1
InChI:   InChI=1/C26H22F2N2O5/c1-33-18-6-2-15(3-7-18)25-19(26(32)29-21-9-4-16(27)12-20(21)28)8-11-24(31)30(25)17-5-10-22-23(13-17)35-14-34-22/h2-7,9-10,12-13,19,25H,8,11,14H2,1H3,(H,29,32)/t19-,25-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=206.484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.467 g/mol  logS: -5.82976  SlogP: 4.9206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195684  Sterimol/B1: 2.545  Sterimol/B2: 3.62608  Sterimol/B3: 5.67624
  Sterimol/B4: 11.3024  Sterimol/L: 17.5115 
 
 Surface and Volume Properties
  Accessible surface: 677.797  Positive charged surface: 416.835  Negative charged surface: 260.962  Volume: 412.25
  Hydrophobic surface: 571.825  Hydrophilic surface: 105.972
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.