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ASINEX-ZINC00899525

 MMsINC code: MMs00212124
Type: Neutral
Formula: C20H19FN2O4S2
SMILES:   S(=O)(=O)(N1CCN(S(=O)(=O)c2cc3c(cc2)cccc3)CC1)c1ccc(F)cc1
InChI:   InChI=1/C20H19FN2O4S2/c21-18-6-9-19(10-7-18)28(24,25)22-11-13-23(14-12-22)29(26,27)20-8-5-16-3-1-2-4-17(16)15-20/h1-10,15H,11-14H2

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Potential Energy
Epot(MMFF94)=72.0874 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.512 g/mol  logS: -5.32804  SlogP: 2.6741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0451096  Sterimol/B1: 3.21787  Sterimol/B2: 3.70669  Sterimol/B3: 4.75673
  Sterimol/B4: 5.36172  Sterimol/L: 20.0562 
 
 Surface and Volume Properties
  Accessible surface: 643.305  Positive charged surface: 316.192  Negative charged surface: 316.041  Volume: 366.625
  Hydrophobic surface: 538.507  Hydrophilic surface: 104.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.