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CHEMBLOCK-ZINC00141502

 MMsINC code: MMs00501749
Type: Neutral
Formula: C11H15FN2O2S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1)N1CCCCC1
InChI:   InChI=1/C11H15FN2O2S/c12-10-4-6-11(7-5-10)13-17(15,16)14-8-2-1-3-9-14/h4-7,13H,1-3,8-9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.88251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.317 g/mol  logS: -2.04486  SlogP: 1.9683  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199493  Sterimol/B1: 2.90458  Sterimol/B2: 3.35463  Sterimol/B3: 5.16031
  Sterimol/B4: 5.2845  Sterimol/L: 12.0026 
 
 Surface and Volume Properties
  Accessible surface: 433.352  Positive charged surface: 266.042  Negative charged surface: 167.311  Volume: 224
  Hydrophobic surface: 356.611  Hydrophilic surface: 76.741
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.