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CHEMBRIDGE-ZINC01910728

 MMsINC code: MMs00699877
Type: Neutral
Formula: C10H12FNOS
SMILES:   S(CC(=O)Nc1ccccc1F)CC
InChI:   InChI=1/C10H12FNOS/c1-2-14-7-10(13)12-9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.8582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.276 g/mol  logS: -3.20104  SlogP: 2.5173  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.022444  Sterimol/B1: 2.52973  Sterimol/B2: 3.14409  Sterimol/B3: 3.39603
  Sterimol/B4: 4.66123  Sterimol/L: 15.166 
 
 Surface and Volume Properties
  Accessible surface: 433.486  Positive charged surface: 261.563  Negative charged surface: 171.922  Volume: 197.625
  Hydrophobic surface: 336.705  Hydrophilic surface: 96.781
 
 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.