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ENAMINE-ZINC03226853

 MMsINC code: MMs01316607
Type: Neutral
Formula: C24H14F3N3OS2
SMILES:   s1c2c(nc1C1=C3Sc4c(N3C(=O)NC1(C(F)(F)F)c1ccccc1)cccc4)cccc2
InChI:   InChI=1/C24H14F3N3OS2/c25-24(26,27)23(14-8-2-1-3-9-14)19(20-28-15-10-4-6-12-17(15)32-20)21-30(22(31)29-23)16-11-5-7-13-18(16)33-21/h1-13H,(H,29,31)/t23-/m0/s1

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Potential Energy
Epot(MMFF94)=140.835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 481.522 g/mol  logS: -7.81821  SlogP: 7.4896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114285  Sterimol/B1: 2.097  Sterimol/B2: 2.88126  Sterimol/B3: 6.58633
  Sterimol/B4: 9.62164  Sterimol/L: 16.6103 
 
 Surface and Volume Properties
  Accessible surface: 632.44  Positive charged surface: 291.747  Negative charged surface: 340.693  Volume: 391.875
  Hydrophobic surface: 481.939  Hydrophilic surface: 150.501
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.