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PUBCHEM-ZINC03047498

 MMsINC code: MMs02985806
Type: Neutral
Formula: C24H17Cl3N2O4S
SMILES:   Clc1cc(Cl)ccc1C(OCc1c(nn(C)c1S(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1
)=O
InChI:   InChI=1/C24H17Cl3N2O4S/c1-29-23(34(31,32)18-10-7-16(25)8-11-18)20(22(28-29)15-5-3-2-4-6-15)14-33-24(30)19-12-9-17(26)13-21(19)27/h2-13H,14H2,1H3

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Potential Energy
Epot(MMFF94)=99.7197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 535.835 g/mol  logS: -8.73842  SlogP: 6.8627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15028  Sterimol/B1: 2.27004  Sterimol/B2: 3.77708  Sterimol/B3: 5.04914
  Sterimol/B4: 9.90628  Sterimol/L: 15.8516 
 
 Surface and Volume Properties
  Accessible surface: 714.903  Positive charged surface: 282.591  Negative charged surface: 432.312  Volume: 442.75
  Hydrophobic surface: 619.682  Hydrophilic surface: 95.221
 
 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: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.