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ASINEX-ZINC00915934

 MMsINC code: MMs00218426
Type: Neutral
Formula: C24H19ClF3N3O4S
SMILES:   Clc1ccc(cc1S(=O)(=O)N(CC1=Cc2c(NC1=O)cc(OC)cc2)Cc1cccnc1)C(F
)(F)F
InChI:   InChI=1/C24H19ClF3N3O4S/c1-35-19-6-4-16-9-17(23(32)30-21(16)11-19)14-31(13-15-3-2-8-29-12-15)36(33,34)22-10-18(24(26,27)28)5-7-20(22)25/h2-12H,13-14H2,1H3,(H,30,32)

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Potential Energy
Epot(MMFF94)=109.892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 537.946 g/mol  logS: -6.28366  SlogP: 5.5669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0843032  Sterimol/B1: 3.51046  Sterimol/B2: 4.79188  Sterimol/B3: 6.42104
  Sterimol/B4: 6.42372  Sterimol/L: 18.2771 
 
 Surface and Volume Properties
  Accessible surface: 688.221  Positive charged surface: 373.908  Negative charged surface: 314.314  Volume: 431.625
  Hydrophobic surface: 458.444  Hydrophilic surface: 229.777
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.