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CHEMDIV-ZINC02466554

 MMsINC code: MMs00878403
Type: Neutral
Formula: C24H18F2N2O2
SMILES:   Fc1cc(F)ccc1NC(=O)C1C2N(CCc3c2cccc3)C(=O)c2c1cccc2
InChI:   InChI=1/C24H18F2N2O2/c25-15-9-10-20(19(26)13-15)27-23(29)21-17-7-3-4-8-18(17)24(30)28-12-11-14-5-1-2-6-16(14)22(21)28/h1-10,13,21-22H,11-12H2,(H,27,29)/t21-,22+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.416 g/mol  logS: -6.02161  SlogP: 4.53577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185885  Sterimol/B1: 2.23431  Sterimol/B2: 2.38198  Sterimol/B3: 6.00015
  Sterimol/B4: 11.0194  Sterimol/L: 14.7699 
 
 Surface and Volume Properties
  Accessible surface: 616.916  Positive charged surface: 320.733  Negative charged surface: 296.184  Volume: 361.375
  Hydrophobic surface: 565.379  Hydrophilic surface: 51.537
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.