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ENAMINE-ZINC02655827

 MMsINC code: MMs01278818
Type: Neutral
Formula: C24H23ClN2O6S
SMILES:   Clc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1C(OCC(=O)Nc1ccccc1OC)=O
InChI:   InChI=1/C24H23ClN2O6S/c1-3-27(17-9-5-4-6-10-17)34(30,31)18-13-14-20(25)19(15-18)24(29)33-16-23(28)26-21-11-7-8-12-22(21)32-2/h4-15H,3,16H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 502.975 g/mol  logS: -6.61234  SlogP: 4.3593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.031155  Sterimol/B1: 2.34193  Sterimol/B2: 3.69166  Sterimol/B3: 5.36712
  Sterimol/B4: 8.79429  Sterimol/L: 20.8371 
 
 Surface and Volume Properties
  Accessible surface: 760.389  Positive charged surface: 432.532  Negative charged surface: 327.856  Volume: 440.75
  Hydrophobic surface: 618.322  Hydrophilic surface: 142.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 1
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Ions/Tautomers related molecules: no related molecules available.