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ASINEX-ZINC01208099

 MMsINC code: MMs00231115
Type: Neutral
Formula: C18H13FN2O4S
SMILES:   S1\C(=C\c2ccccc2F)\C(=O)N(CC(=O)Nc2ccc(O)cc2)C1=O
InChI:   InChI=1/C18H13FN2O4S/c19-14-4-2-1-3-11(14)9-15-17(24)21(18(25)26-15)10-16(23)20-12-5-7-13(22)8-6-12/h1-9,22H,10H2,(H,20,23)/b15-9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.7581 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.376 g/mol  logS: -4.91413  SlogP: 3.2063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107972  Sterimol/B1: 2.54528  Sterimol/B2: 3.38898  Sterimol/B3: 5.54955
  Sterimol/B4: 7.31096  Sterimol/L: 16.2363 
 
 Surface and Volume Properties
  Accessible surface: 587.31  Positive charged surface: 299.08  Negative charged surface: 288.229  Volume: 316.5
  Hydrophobic surface: 390.873  Hydrophilic surface: 196.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.