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ENAMINE-ZINC03235908

 MMsINC code: MMs01321813
Type: Neutral
Formula: C10H3BrF4N2OS
SMILES:   Brc1sc(nc1)NC(=O)c1cc(F)c(F)c(F)c1F
InChI:   InChI=1/C10H3BrF4N2OS/c11-5-2-16-10(19-5)17-9(18)3-1-4(12)7(14)8(15)6(3)13/h1-2H,(H,16,17,18)

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Potential Energy
Epot(MMFF94)=41.6886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.109 g/mol  logS: -5.40781  SlogP: 3.7143  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.10278e-07  Sterimol/B1: 2.178  Sterimol/B2: 2.192  Sterimol/B3: 3.00821
  Sterimol/B4: 5.14956  Sterimol/L: 15.3695 
 
 Surface and Volume Properties
  Accessible surface: 449.892  Positive charged surface: 148.756  Negative charged surface: 301.136  Volume: 223.75
  Hydrophobic surface: 383.513  Hydrophilic surface: 66.379
 
 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.