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ENAMINE-ZINC03331628

 MMsINC code: MMs01377093
Type: Neutral
Formula: C13H17F2NO2S
SMILES:   S(=O)(=O)(NC1CCCCC1C)c1ccc(F)cc1F
InChI:   InChI=1/C13H17F2NO2S/c1-9-4-2-3-5-12(9)16-19(17,18)13-7-6-10(14)8-11(13)15/h6-9,12,16H,2-5H2,1H3/t9-,12+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.7152 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: 0.180068  Sterimol/B1: 2.98551  Sterimol/B2: 3.11211  Sterimol/B3: 4.21316
  Sterimol/B4: 5.97807  Sterimol/L: 12.5851 
 
 Surface and Volume Properties
  Accessible surface: 450.489  Positive charged surface: 254.113  Negative charged surface: 196.376  Volume: 248.25
  Hydrophobic surface: 366.107  Hydrophilic surface: 84.382
 
 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.