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APOLLO-ZINC04289190

 MMsINC code: MMs00058672
Type: Neutral
Formula: C28H26F3NO4
SMILES:   FC(F)(F)c1ccc(Oc2ccc(OC(C(=O)N3CCC(CC3)C(=O)c3ccccc3)C)cc2)c
c1
InChI:   InChI=1/C28H26F3NO4/c1-19(27(34)32-17-15-21(16-18-32)26(33)20-5-3-2-4-6-20)35-23-11-13-25(14-12-23)36-24-9-7-22(8-10-24)28(29,30)31/h2-14,19,21H,15-18H2,1H3/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 497.513 g/mol  logS: -7.07642  SlogP: 6.698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.057479  Sterimol/B1: 2.14392  Sterimol/B2: 3.72424  Sterimol/B3: 6.03253
  Sterimol/B4: 8.97784  Sterimol/L: 18.8636 
 
 Surface and Volume Properties
  Accessible surface: 785.616  Positive charged surface: 404.411  Negative charged surface: 381.205  Volume: 450.25
  Hydrophobic surface: 600.449  Hydrophilic surface: 185.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.