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ENAMINE-ZINC03306845

 MMsINC code: MMs01361636
Type: Neutral
Formula: C13H17F2NO2S
SMILES:   S(=O)(=O)(NC1CCCCC1C)c1cc(F)c(F)cc1
InChI:   InChI=1/C13H17F2NO2S/c1-9-4-2-3-5-13(9)16-19(17,18)10-6-7-11(14)12(15)8-10/h6-9,13,16H,2-5H2,1H3/t9-,13-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.03287 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.346 g/mol  logS: -3.48573  SlogP: 2.8218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239745  Sterimol/B1: 2.1631  Sterimol/B2: 2.37027  Sterimol/B3: 5.97875
  Sterimol/B4: 6.21204  Sterimol/L: 12.156 
 
 Surface and Volume Properties
  Accessible surface: 459.548  Positive charged surface: 255.093  Negative charged surface: 204.455  Volume: 250.75
  Hydrophobic surface: 371.546  Hydrophilic surface: 88.002
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.