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PEAKDALE-ZINC01501811

 MMsINC code: MMs02612416
Type: Neutral
Formula: C24H20F3N3O4S
SMILES:   S(=O)(=O)(Nc1c2[nH]c(cc2ccc1)C(=O)NCc1cc(ccc1)C(F)(F)F)c1ccc
(OC)cc1
InChI:   InChI=1/C24H20F3N3O4S/c1-34-18-8-10-19(11-9-18)35(32,33)30-20-7-3-5-16-13-21(29-22(16)20)23(31)28-14-15-4-2-6-17(12-15)24(25,26)27/h2-13,29-30H,14H2,1H3,(H,28,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.6422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 503.501 g/mol  logS: -6.5105  SlogP: 5.504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146346  Sterimol/B1: 2.29102  Sterimol/B2: 2.87305  Sterimol/B3: 7.83723
  Sterimol/B4: 8.50426  Sterimol/L: 18.3731 
 
 Surface and Volume Properties
  Accessible surface: 756.15  Positive charged surface: 373.204  Negative charged surface: 377.106  Volume: 421.5
  Hydrophobic surface: 496.166  Hydrophilic surface: 259.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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: no related molecules available.