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ENAMINE-ZINC03532621

 MMsINC code: MMs01494487
Type: Neutral
Formula: C12H8F2INO2S
SMILES:   Ic1ccccc1NS(=O)(=O)c1c(F)cccc1F
InChI:   InChI=1/C12H8F2INO2S/c13-8-4-3-5-9(14)12(8)19(17,18)16-11-7-2-1-6-10(11)15/h1-7,16H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.6287 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.167 g/mol  logS: -4.6282  SlogP: 3.3702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.27376  Sterimol/B1: 3.32489  Sterimol/B2: 3.58634  Sterimol/B3: 5.73058
  Sterimol/B4: 5.74104  Sterimol/L: 11.1408 
 
 Surface and Volume Properties
  Accessible surface: 454.357  Positive charged surface: 167.669  Negative charged surface: 286.688  Volume: 248.125
  Hydrophobic surface: 385.333  Hydrophilic surface: 69.024
 
 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.