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ENAMINE-ZINC03577187

 MMsINC code: MMs01516157
Type: Neutral
Formula: C19H16FN3O4S2
SMILES:   s1cccc1S(=O)(=O)Nc1ccccc1C(=O)NNC(=C)c1cc(F)ccc1O
InChI:   InChI=1/C19H16FN3O4S2/c1-12(15-11-13(20)8-9-17(15)24)21-22-19(25)14-5-2-3-6-16(14)23-29(26,27)18-7-4-10-28-18/h2-11,21,23-24H,1H2,(H,22,25)

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Potential Energy
Epot(MMFF94)=110.642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 433.484 g/mol  logS: -5.11786  SlogP: 3.2989  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0885627  Sterimol/B1: 3.31198  Sterimol/B2: 3.71041  Sterimol/B3: 5.83415
  Sterimol/B4: 7.43094  Sterimol/L: 16.7663 
 
 Surface and Volume Properties
  Accessible surface: 653.899  Positive charged surface: 302.169  Negative charged surface: 351.729  Volume: 363.75
  Hydrophobic surface: 463.272  Hydrophilic surface: 190.627
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.