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ASINEX-ZINC00337681

MMsINC code: MMs00120540

Type: Neutral
Formula: C14H13FN2O3S
SMILES:   S(=O)(=O)(NC(=O)Nc1ccccc1F)c1ccc(cc1)C
InChI:   InChI=1/C14H13FN2O3S/c1-10-6-8-11(9-7-10)21(19,20)17-14(18)16-13-5-3-2-4-12(13)15/h2-9H,1H3,(H2,16,17,18)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=8.85015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.333 g/mol  logS: -4.24404  SlogP: 2.64452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128658  Sterimol/B1: 2.3684  Sterimol/B2: 3.65407  Sterimol/B3: 4.4207
  Sterimol/B4: 7.86038  Sterimol/L: 13.8699 
 
 Surface and Volume Properties
  Accessible surface: 512.998  Positive charged surface: 262.605  Negative charged surface: 250.394  Volume: 260.25
  Hydrophobic surface: 397.453  Hydrophilic surface: 115.545
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.