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FDA-ZINC01530866

 MMsINC code: MMs01725570
Type: Neutral
Formula: C26H30Cl2F3NO
SMILES:   Clc1cc(Cl)cc2c1cc(c1c2cc(cc1)C(F)(F)F)C(O)CCN(CCCC)CCCC
InChI:   InChI=1/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3/t25-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 500.432 g/mol  logS: -9.62485  SlogP: 9.0513  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0989595  Sterimol/B1: 2.4342  Sterimol/B2: 2.56536  Sterimol/B3: 5.97608
  Sterimol/B4: 11.0154  Sterimol/L: 18.5329 
 
 Surface and Volume Properties
  Accessible surface: 792.931  Positive charged surface: 387.046  Negative charged surface: 386.315  Volume: 455
  Hydrophobic surface: 610.271  Hydrophilic surface: 182.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs01725571
FDA-ZINC01530866