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CHEMDIV-ZINC02920987

 MMsINC code: MMs00891309
Type: Neutral
Formula: C24H29FN2O4S2
SMILES:   S(c1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCCCCC1)c1ccc(F)cc1
InChI:   InChI=1/C24H29FN2O4S2/c25-18-7-9-20(10-8-18)32-23-12-11-21(33(29,30)27-13-15-31-16-14-27)17-22(23)24(28)26-19-5-3-1-2-4-6-19/h7-12,17,19H,1-6,13-16H2,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.636 g/mol  logS: -6.86265  SlogP: 4.4504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0753428  Sterimol/B1: 2.53636  Sterimol/B2: 3.31253  Sterimol/B3: 4.76194
  Sterimol/B4: 13.3727  Sterimol/L: 16.4601 
 
 Surface and Volume Properties
  Accessible surface: 752.154  Positive charged surface: 483.927  Negative charged surface: 268.227  Volume: 442.375
  Hydrophobic surface: 637.78  Hydrophilic surface: 114.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.