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ASINEX-ZINC02912781

MMsINC code: MMs00281049

Type: Neutral
Formula: C12H10FNOS
SMILES:   s1cccc1C(=O)NCc1ccc(F)cc1
InChI:   InChI=1/C12H10FNOS/c13-10-5-3-9(4-6-10)8-14-12(15)11-2-1-7-16-11/h1-7H,8H2,(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=21.548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.282 g/mol  logS: -3.40056  SlogP: 3.0836  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.083359  Sterimol/B1: 3.61867  Sterimol/B2: 3.62053  Sterimol/B3: 3.62923
  Sterimol/B4: 4.5029  Sterimol/L: 14.5385 
 
 Surface and Volume Properties
  Accessible surface: 441.428  Positive charged surface: 205.084  Negative charged surface: 236.345  Volume: 211.875
  Hydrophobic surface: 390.848  Hydrophilic surface: 50.58
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.