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ASINEX-ZINC00933200

 MMsINC code: MMs00225760
Type: Neutral
Formula: C23H29FN2O4S2
SMILES:   S(=O)(=O)(N(Cc1ccccc1F)CCC=1CCCCC=1)c1ccc(S(=O)(=O)N(C)C)cc1
InChI:   InChI=1/C23H29FN2O4S2/c1-25(2)31(27,28)21-12-14-22(15-13-21)32(29,30)26(17-16-19-8-4-3-5-9-19)18-20-10-6-7-11-23(20)24/h6-8,10-15H,3-5,9,16-18H2,1-2H3

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Potential Energy
Epot(MMFF94)=46.7119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.625 g/mol  logS: -5.24223  SlogP: 4.4238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121241  Sterimol/B1: 2.69594  Sterimol/B2: 3.67447  Sterimol/B3: 6.12946
  Sterimol/B4: 9.21355  Sterimol/L: 17.5281 
 
 Surface and Volume Properties
  Accessible surface: 711.259  Positive charged surface: 460.589  Negative charged surface: 250.671  Volume: 437.375
  Hydrophobic surface: 587.43  Hydrophilic surface: 123.829
 
 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.