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IFLAB-ZINC00959242

 MMsINC code: MMs01982698
Type: Neutral
Formula: C18H14Cl2N4O4S
SMILES:   Clc1cc(cc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccnc2OC)cc1
InChI:   InChI=1/C18H14Cl2N4O4S/c1-28-18-16(21-6-7-22-18)24-29(26,27)15-4-2-14(3-5-15)23-17(25)11-8-12(19)10-13(20)9-11/h2-10H,1H3,(H,21,24)(H,23,25)

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Potential Energy
Epot(MMFF94)=82.7036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 453.306 g/mol  logS: -4.64191  SlogP: 3.8451  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0779112  Sterimol/B1: 2.27411  Sterimol/B2: 5.04269  Sterimol/B3: 6.08845
  Sterimol/B4: 6.65763  Sterimol/L: 19.3798 
 
 Surface and Volume Properties
  Accessible surface: 671.364  Positive charged surface: 347.831  Negative charged surface: 323.533  Volume: 364.375
  Hydrophobic surface: 522.662  Hydrophilic surface: 148.702
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.