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CHEMDIV-ZINC03664370

 MMsINC code: MMs00916006
Type: Neutral
Formula: C26H24F2N2O6S2
SMILES:   S(=O)(=O)(NCCOc1ccc(F)cc1)c1c2c(ccc1)c(S(=O)(=O)NCCOc1ccc(F)
cc1)ccc2
InChI:   InChI=1/C26H24F2N2O6S2/c27-19-7-11-21(12-8-19)35-17-15-29-37(31,32)25-5-1-3-23-24(25)4-2-6-26(23)38(33,34)30-16-18-36-22-13-9-20(28)10-14-22/h1-14,29-30H,15-18H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.9444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 562.614 g/mol  logS: -7.21812  SlogP: 3.8326  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.205053  Sterimol/B1: 2.84493  Sterimol/B2: 2.96066  Sterimol/B3: 7.32102
  Sterimol/B4: 9.31312  Sterimol/L: 17.7017 
 
 Surface and Volume Properties
  Accessible surface: 827.221  Positive charged surface: 422.224  Negative charged surface: 399.72  Volume: 472.625
  Hydrophobic surface: 680.159  Hydrophilic surface: 147.062
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.