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ENAMINE-ZINC03272732

 MMsINC code: MMs01343496
Type: Neutral
Formula: C19H13FN2O4S2
SMILES:   s1cc(-c2ccc(F)cc2)c(C(OC)=O)c1NC1=NS(=O)(=O)c2c1cccc2
InChI:   InChI=1/C19H13FN2O4S2/c1-26-19(23)16-14(11-6-8-12(20)9-7-11)10-27-18(16)21-17-13-4-2-3-5-15(13)28(24,25)22-17/h2-10H,1H3,(H,21,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.1828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.453 g/mol  logS: -6.91919  SlogP: 3.9018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0344632  Sterimol/B1: 1.969  Sterimol/B2: 2.47609  Sterimol/B3: 4.18124
  Sterimol/B4: 8.30905  Sterimol/L: 18.033 
 
 Surface and Volume Properties
  Accessible surface: 622.948  Positive charged surface: 288.77  Negative charged surface: 334.178  Volume: 340.25
  Hydrophobic surface: 495.992  Hydrophilic surface: 126.956
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.