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ENAMINE-ZINC03276869

 MMsINC code: MMs01345658
Type: Neutral
Formula: C14H14F2N4O2S3
SMILES:   S(C(F)F)c1ccc(NC(=S)NNc2ccc(S(=O)(=O)N)cc2)cc1
InChI:   InChI=1/C14H14F2N4O2S3/c15-13(16)24-11-5-1-9(2-6-11)18-14(23)20-19-10-3-7-12(8-4-10)25(17,21)22/h1-8,13,19H,(H2,17,21,22)(H2,18,20,23)

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Potential Energy
Epot(MMFF94)=92.971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.486 g/mol  logS: -5.31629  SlogP: 3.3821  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0195844  Sterimol/B1: 2.52771  Sterimol/B2: 2.60966  Sterimol/B3: 3.7382
  Sterimol/B4: 6.09867  Sterimol/L: 20.5433 
 
 Surface and Volume Properties
  Accessible surface: 607.67  Positive charged surface: 256.835  Negative charged surface: 350.834  Volume: 318.25
  Hydrophobic surface: 266.641  Hydrophilic surface: 341.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs01345659
ENAMINE-ZINC03276869