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CHEMDIV-ZINC03047746

 MMsINC code: MMs00907916
Type: Neutral
Formula: C20H20F2N2O4S
SMILES:   S(=O)(=O)(N(CC)CC)c1cc2c(oc(C(=O)Nc3cc(F)c(F)cc3)c2C)cc1
InChI:   InChI=1/C20H20F2N2O4S/c1-4-24(5-2)29(26,27)14-7-9-18-15(11-14)12(3)19(28-18)20(25)23-13-6-8-16(21)17(22)10-13/h6-11H,4-5H2,1-3H3,(H,23,25)

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Potential Energy
Epot(MMFF94)=59.2305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.452 g/mol  logS: -6.27153  SlogP: 4.30222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0456488  Sterimol/B1: 2.21856  Sterimol/B2: 2.79853  Sterimol/B3: 5.59315
  Sterimol/B4: 6.25398  Sterimol/L: 20.2317 
 
 Surface and Volume Properties
  Accessible surface: 648.618  Positive charged surface: 356.482  Negative charged surface: 287.827  Volume: 364.75
  Hydrophobic surface: 512.219  Hydrophilic surface: 136.399
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.