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ASINEX-ZINC01329366

 MMsINC code: MMs00236631
Type: Neutral
Formula: C23H31FN2O4S2
SMILES:   S(=O)(=O)(N1CCCCCC1)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C(CC)C)cc1
InChI:   InChI=1/C23H31FN2O4S2/c1-3-19(2)26(18-20-8-10-21(24)11-9-20)32(29,30)23-14-12-22(13-15-23)31(27,28)25-16-6-4-5-7-17-25/h8-15,19H,3-7,16-18H2,1-2H3/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.7638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.641 g/mol  logS: -5.08699  SlogP: 4.6462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.049359  Sterimol/B1: 2.45119  Sterimol/B2: 2.85412  Sterimol/B3: 5.48159
  Sterimol/B4: 7.76538  Sterimol/L: 20.1998 
 
 Surface and Volume Properties
  Accessible surface: 691.338  Positive charged surface: 409.029  Negative charged surface: 282.309  Volume: 433.25
  Hydrophobic surface: 565.73  Hydrophilic surface: 125.608
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.