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CHEMDIV-ZINC03048020

 MMsINC code: MMs00908002
Type: Neutral
Formula: C21H20F2N2O4S
SMILES:   S(=O)(=O)(N1CCCCC1)c1cc2c(oc(C(=O)Nc3cc(F)c(F)cc3)c2C)cc1
InChI:   InChI=1/C21H20F2N2O4S/c1-13-16-12-15(30(27,28)25-9-3-2-4-10-25)6-8-19(16)29-20(13)21(26)24-14-5-7-17(22)18(23)11-14/h5-8,11-12H,2-4,9-10H2,1H3,(H,24,26)

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Potential Energy
Epot(MMFF94)=60.0967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.463 g/mol  logS: -6.37126  SlogP: 4.44632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0432491  Sterimol/B1: 2.34879  Sterimol/B2: 2.81413  Sterimol/B3: 5.27872
  Sterimol/B4: 6.89686  Sterimol/L: 20.5316 
 
 Surface and Volume Properties
  Accessible surface: 664.947  Positive charged surface: 382.971  Negative charged surface: 276.467  Volume: 370
  Hydrophobic surface: 568.656  Hydrophilic surface: 96.291
 
 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.