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ASINEX-ZINC01359616

 MMsINC code: MMs00245724
Type: Neutral
Formula: C20H19ClFN3O3S
SMILES:   Clc1cccc(S(=O)(=O)N2CC(CCC2)c2onc(n2)-c2ccc(F)cc2)c1C
InChI:   InChI=1/C20H19ClFN3O3S/c1-13-17(21)5-2-6-18(13)29(26,27)25-11-3-4-15(12-25)20-23-19(24-28-20)14-7-9-16(22)10-8-14/h2,5-10,15H,3-4,11-12H2,1H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=93.3074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 435.907 g/mol  logS: -6.54334  SlogP: 4.40582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0641622  Sterimol/B1: 3.63072  Sterimol/B2: 4.46714  Sterimol/B3: 4.53209
  Sterimol/B4: 6.79004  Sterimol/L: 19.5876 
 
 Surface and Volume Properties
  Accessible surface: 651.66  Positive charged surface: 307.806  Negative charged surface: 343.854  Volume: 366.375
  Hydrophobic surface: 555.375  Hydrophilic surface: 96.285
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.