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ENAMINE-ZINC03282273

 MMsINC code: MMs01348613
Type: Neutral
Formula: C23H20F2N2O6S
SMILES:   S(=O)(=O)(NCc1ccccc1)c1cc(ccc1)C(OCC(=O)Nc1ccccc1OC(F)F)=O
InChI:   InChI=1/C23H20F2N2O6S/c24-23(25)33-20-12-5-4-11-19(20)27-21(28)15-32-22(29)17-9-6-10-18(13-17)34(30,31)26-14-16-7-2-1-3-8-16/h1-13,23,26H,14-15H2,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.483 g/mol  logS: -5.50317  SlogP: 4.2483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0434066  Sterimol/B1: 2.66876  Sterimol/B2: 3.38263  Sterimol/B3: 5.3505
  Sterimol/B4: 8.50547  Sterimol/L: 21.2444 
 
 Surface and Volume Properties
  Accessible surface: 779.559  Positive charged surface: 399.716  Negative charged surface: 379.843  Volume: 417.125
  Hydrophobic surface: 529.524  Hydrophilic surface: 250.035
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.