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ENAMINE-ZINC06879084

 MMsINC code: MMs01708175
Type: Neutral
Formula: C15H7F5N2S2
SMILES:   S(Cc1c(F)c(F)c(F)c(F)c1F)C=1NC(=S)c2c(N=1)cccc2
InChI:   InChI=1/C15H7F5N2S2/c16-9-7(10(17)12(19)13(20)11(9)18)5-24-15-21-8-4-2-1-3-6(8)14(23)22-15/h1-4H,5H2,(H,21,22,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.1264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.357 g/mol  logS: -7.73537  SlogP: 4.8481  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0601002  Sterimol/B1: 3.53733  Sterimol/B2: 3.86366  Sterimol/B3: 3.86861
  Sterimol/B4: 6.66026  Sterimol/L: 16.47 
 
 Surface and Volume Properties
  Accessible surface: 530.479  Positive charged surface: 200.413  Negative charged surface: 330.066  Volume: 279.5
  Hydrophobic surface: 394.025  Hydrophilic surface: 136.454
 
 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.