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ASINEX-ZINC01360007

 MMsINC code: MMs00245948
Type: Neutral
Formula: C23H24F3N3O3S
SMILES:   S(=O)(=O)(N1CC(CCC1)c1onc(n1)-c1ccc(cc1)C(C)C)c1ccccc1C(F)(F
)F
InChI:   InChI=1/C23H24F3N3O3S/c1-15(2)16-9-11-17(12-10-16)21-27-22(32-28-21)18-6-5-13-29(14-18)33(30,31)20-8-4-3-7-19(20)23(24,25)26/h3-4,7-12,15,18H,5-6,13-14H2,1-2H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=94.8468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 479.523 g/mol  logS: -7.91451  SlogP: 5.7586  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0612092  Sterimol/B1: 3.26654  Sterimol/B2: 3.62617  Sterimol/B3: 4.964
  Sterimol/B4: 6.95833  Sterimol/L: 19.3983 
 
 Surface and Volume Properties
  Accessible surface: 708.007  Positive charged surface: 374.675  Negative charged surface: 333.331  Volume: 412.625
  Hydrophobic surface: 501.574  Hydrophilic surface: 206.433
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.