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ASINEX-ZINC00933248

 MMsINC code: MMs00225782
Type: Neutral
Formula: C25H29FN2O4S2
SMILES:   S(=O)(=O)(N(Cc1ccccc1F)CCc1ccccc1)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChI:   InChI=1/C25H29FN2O4S2/c1-3-27(4-2)33(29,30)23-14-16-24(17-15-23)34(31,32)28(19-18-21-10-6-5-7-11-21)20-22-12-8-9-13-25(22)26/h5-17H,3-4,18-20H2,1-2H3

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Potential Energy
Epot(MMFF94)=58.6977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 504.647 g/mol  logS: -5.75867  SlogP: 4.55617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101528  Sterimol/B1: 3.44079  Sterimol/B2: 4.57934  Sterimol/B3: 5.07694
  Sterimol/B4: 9.15473  Sterimol/L: 18.5627 
 
 Surface and Volume Properties
  Accessible surface: 742.678  Positive charged surface: 413.346  Negative charged surface: 329.332  Volume: 460.625
  Hydrophobic surface: 591.488  Hydrophilic surface: 151.19
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.