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CHEMDIV-ZINC02920985

 MMsINC code: MMs00891308
Type: Neutral
Formula: C25H25FN2O4S2
SMILES:   S(c1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCc1ccccc1)c1ccc(F)cc1
InChI:   InChI=1/C25H25FN2O4S2/c26-20-6-8-21(9-7-20)33-24-11-10-22(34(30,31)28-14-16-32-17-15-28)18-23(24)25(29)27-13-12-19-4-2-1-3-5-19/h1-11,18H,12-17H2,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.55 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 500.615 g/mol  logS: -6.70566  SlogP: 3.97027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0684941  Sterimol/B1: 3.5399  Sterimol/B2: 4.47639  Sterimol/B3: 6.71852
  Sterimol/B4: 8.34147  Sterimol/L: 18.7382 
 
 Surface and Volume Properties
  Accessible surface: 782.329  Positive charged surface: 461.938  Negative charged surface: 320.391  Volume: 449.125
  Hydrophobic surface: 659.33  Hydrophilic surface: 122.999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.