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ENAMINE-ZINC03293393

 MMsINC code: MMs01354538
Type: Neutral
Formula: C13H17F2NO2S
SMILES:   S(=O)(=O)(N1CC(CC(C1)C)C)c1ccc(F)cc1F
InChI:   InChI=1/C13H17F2NO2S/c1-9-5-10(2)8-16(7-9)19(17,18)13-4-3-11(14)6-12(13)15/h3-4,6,9-10H,5,7-8H2,1-2H3/t9-,10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.3275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.346 g/mol  logS: -3.04609  SlogP: 2.6314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.287125  Sterimol/B1: 2.46497  Sterimol/B2: 3.37219  Sterimol/B3: 5.19043
  Sterimol/B4: 6.65444  Sterimol/L: 11.7034 
 
 Surface and Volume Properties
  Accessible surface: 444.015  Positive charged surface: 261.916  Negative charged surface: 182.1  Volume: 250.375
  Hydrophobic surface: 355.696  Hydrophilic surface: 88.319
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.