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PUBCHEM-ZINC03129997

 MMsINC code: MMs02998242
Type: Neutral
Formula: C24H18Cl2N2O4S
SMILES:   Clc1cc(S(=O)(=O)c2cc(Cl)c(Oc3ccc(N)cc3)cc2)ccc1Oc1ccc(N)cc1
InChI:   InChI=1/C24H18Cl2N2O4S/c25-21-13-19(9-11-23(21)31-17-5-1-15(27)2-6-17)33(29,30)20-10-12-24(22(26)14-20)32-18-7-3-16(28)4-8-18/h1-14H,27-28H2

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Potential Energy
Epot(MMFF94)=135.274 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 501.39 g/mol  logS: -7.82519  SlogP: 6.5752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0760175  Sterimol/B1: 4.78524  Sterimol/B2: 5.52496  Sterimol/B3: 6.03519
  Sterimol/B4: 6.14165  Sterimol/L: 20.9314 
 
 Surface and Volume Properties
  Accessible surface: 758.658  Positive charged surface: 358.914  Negative charged surface: 399.744  Volume: 426.375
  Hydrophobic surface: 578.261  Hydrophilic surface: 180.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.