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ENAMINE-ZINC03187814

 MMsINC code: MMs01300006
Type: Neutral
Formula: C9H5F3N2O2S2
SMILES:   S1c2c(N3CCS(=O)(=O)N=C13)c(F)c(F)c(F)c2
InChI:   InChI=1/C9H5F3N2O2S2/c10-4-3-5-8(7(12)6(4)11)14-1-2-18(15,16)13-9(14)17-5/h3H,1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.97066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.277 g/mol  logS: -3.46311  SlogP: 1.7154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0450364  Sterimol/B1: 2.9936  Sterimol/B2: 3.41527  Sterimol/B3: 3.47052
  Sterimol/B4: 5.12099  Sterimol/L: 12.8412 
 
 Surface and Volume Properties
  Accessible surface: 403.98  Positive charged surface: 150.847  Negative charged surface: 253.133  Volume: 199.125
  Hydrophobic surface: 247.695  Hydrophilic surface: 156.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.