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ENAMINE-ZINC05126729

 MMsINC code: MMs01590241
Type: Neutral
Formula: C13H10F2N2O5S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1F)c1cc([N+](=O)[O-])c(OC)cc1
InChI:   InChI=1/C13H10F2N2O5S/c1-22-13-5-3-9(7-12(13)17(18)19)23(20,21)16-11-4-2-8(14)6-10(11)15/h2-7,16H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.6131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.294 g/mol  logS: -4.47729  SlogP: 2.6824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202143  Sterimol/B1: 3.33531  Sterimol/B2: 4.35227  Sterimol/B3: 5.27574
  Sterimol/B4: 5.80616  Sterimol/L: 12.7453 
 
 Surface and Volume Properties
  Accessible surface: 494.882  Positive charged surface: 228.457  Negative charged surface: 266.426  Volume: 260.875
  Hydrophobic surface: 340.063  Hydrophilic surface: 154.819
 
 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.