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CHEMDIV-ZINC06495863

 MMsINC code: MMs00998821
Type: Neutral
Formula: C19H16FN3O3S
SMILES:   S1(=O)(=O)Cc2c(nn(-c3ccc(F)cc3)c2NC(=O)Cc2ccccc2)C1
InChI:   InChI=1/C19H16FN3O3S/c20-14-6-8-15(9-7-14)23-19(16-11-27(25,26)12-17(16)22-23)21-18(24)10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,21,24)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.743 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.419 g/mol  logS: -4.53654  SlogP: 3.15377  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0973697  Sterimol/B1: 3.40067  Sterimol/B2: 4.24724  Sterimol/B3: 4.33015
  Sterimol/B4: 8.0513  Sterimol/L: 15.6865 
 
 Surface and Volume Properties
  Accessible surface: 614.718  Positive charged surface: 320.156  Negative charged surface: 294.562  Volume: 331
  Hydrophobic surface: 506.601  Hydrophilic surface: 108.117
 
 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.