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ASINEX-ZINC04861350

 MMsINC code: MMs00388035
Type: Neutral
Formula: C25H20FN3S
SMILES:   S\1c2nc3c(cc2CN(Cc2ccccc2)/C/1=N/c1ccc(F)cc1)cccc3C
InChI:   InChI=1/C25H20FN3S/c1-17-6-5-9-19-14-20-16-29(15-18-7-3-2-4-8-18)25(30-24(20)28-23(17)19)27-22-12-10-21(26)11-13-22/h2-14H,15-16H2,1H3/b27-25+

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Potential Energy
Epot(MMFF94)=89.9966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.52 g/mol  logS: -7.09729  SlogP: 7.01072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166873  Sterimol/B1: 1.97696  Sterimol/B2: 3.98418  Sterimol/B3: 6.75134
  Sterimol/B4: 7.81269  Sterimol/L: 16.7394 
 
 Surface and Volume Properties
  Accessible surface: 655.953  Positive charged surface: 345.654  Negative charged surface: 305.538  Volume: 391.5
  Hydrophobic surface: 583.787  Hydrophilic surface: 72.166
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.