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ASINEX-ZINC00933658

 MMsINC code: MMs00225967
Type: Neutral
Formula: C24H31FN2O4S2
SMILES:   S(=O)(=O)(N1CCCCC1)c1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CCCCC2)cc1
InChI:   InChI=1/C24H31FN2O4S2/c25-24-12-6-5-9-20(24)19-27(21-10-3-1-4-11-21)33(30,31)23-15-13-22(14-16-23)32(28,29)26-17-7-2-8-18-26/h5-6,9,12-16,21H,1-4,7-8,10-11,17-19H2

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Potential Energy
Epot(MMFF94)=61.0671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 494.652 g/mol  logS: -5.50017  SlogP: 4.7903  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465452  Sterimol/B1: 2.40537  Sterimol/B2: 4.12691  Sterimol/B3: 4.38564
  Sterimol/B4: 10.3251  Sterimol/L: 18.5674 
 
 Surface and Volume Properties
  Accessible surface: 707.754  Positive charged surface: 446.778  Negative charged surface: 260.975  Volume: 443.625
  Hydrophobic surface: 608.667  Hydrophilic surface: 99.087
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.