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ENAMINE-ZINC03452256

 MMsINC code: MMs01451495
Type: Neutral
Formula: C12H8F3NO2S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1F)c1cc(F)ccc1
InChI:   InChI=1/C12H8F3NO2S/c13-8-2-1-3-10(6-8)19(17,18)16-12-5-4-9(14)7-11(12)15/h1-7,16H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.6673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.261 g/mol  logS: -3.93166  SlogP: 2.9047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251674  Sterimol/B1: 2.49551  Sterimol/B2: 3.76829  Sterimol/B3: 4.29748
  Sterimol/B4: 6.65188  Sterimol/L: 11.5496 
 
 Surface and Volume Properties
  Accessible surface: 435.751  Positive charged surface: 174.63  Negative charged surface: 261.121  Volume: 221.125
  Hydrophobic surface: 355.405  Hydrophilic surface: 80.346
 
 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.