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ASINEX-ZINC04511463

 MMsINC code: MMs00346070
Type: Neutral
Formula: C15H13FN2O3S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1)c1cc2CC(=O)N(c2cc1)C
InChI:   InChI=1/C15H13FN2O3S/c1-18-14-7-6-13(8-10(14)9-15(18)19)22(20,21)17-12-4-2-11(16)3-5-12/h2-8,17H,9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.344 g/mol  logS: -3.62167  SlogP: 2.14537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13837  Sterimol/B1: 2.84307  Sterimol/B2: 3.33886  Sterimol/B3: 4.40617
  Sterimol/B4: 7.39707  Sterimol/L: 13.7724 
 
 Surface and Volume Properties
  Accessible surface: 507.768  Positive charged surface: 294.676  Negative charged surface: 213.092  Volume: 272.375
  Hydrophobic surface: 378.335  Hydrophilic surface: 129.433
 
 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.