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MDPI-ZINC04293648

 MMsINC code: MMs02187468
Type: Neutral
Formula: C26H16F4S4
SMILES:   S(C(Sc1ccc(F)cc1)=C(Sc1ccc(F)cc1)Sc1ccc(F)cc1)c1ccc(F)cc1
InChI:   InChI=1/C26H16F4S4/c27-17-1-9-21(10-2-17)31-25(32-22-11-3-18(28)4-12-22)26(33-23-13-5-19(29)6-14-23)34-24-15-7-20(30)8-16-24/h1-16H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.96 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 532.67 g/mol  logS: -12.7823  SlogP: 9.8386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.386903  Sterimol/B1: 2.33494  Sterimol/B2: 2.4786  Sterimol/B3: 7.50222
  Sterimol/B4: 9.70814  Sterimol/L: 13.5973 
 
 Surface and Volume Properties
  Accessible surface: 743.492  Positive charged surface: 314.577  Negative charged surface: 428.915  Volume: 444.75
  Hydrophobic surface: 678.88  Hydrophilic surface: 64.612
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.