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MAYBRIDGE-ZINC04347312

 MMsINC code: MMs02170079
Type: Neutral
Formula: C16H14F3N3O4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)/C(=N\OC(=O)c1cc(ccc1)C(F)(F)F)/N)C
InChI:   InChI=1/C16H14F3N3O4S/c1-27(24,25)22-13-7-5-10(6-8-13)14(20)21-26-15(23)11-3-2-4-12(9-11)16(17,18)19/h2-9,22H,1H3,(H2,20,21)

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Potential Energy
Epot(MMFF94)=105.163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.365 g/mol  logS: -4.82276  SlogP: 2.8657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0246312  Sterimol/B1: 2.3445  Sterimol/B2: 4.15224  Sterimol/B3: 4.44002
  Sterimol/B4: 4.68631  Sterimol/L: 19.8577 
 
 Surface and Volume Properties
  Accessible surface: 613.161  Positive charged surface: 269.818  Negative charged surface: 343.343  Volume: 316.375
  Hydrophobic surface: 313.699  Hydrophilic surface: 299.462
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.