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PUBCHEM-ZINC01137825

 MMsINC code: MMs02777398
Type: Neutral
Formula: C19H15Cl2N3O3S
SMILES:   Clc1cc(N(S(=O)(=O)c2ccc(Cl)cc2)CC(=O)Nc2cccnc2)ccc1
InChI:   InChI=1/C19H15Cl2N3O3S/c20-14-6-8-18(9-7-14)28(26,27)24(17-5-1-3-15(21)11-17)13-19(25)23-16-4-2-10-22-12-16/h1-12H,13H2,(H,23,25)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.8668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.319 g/mol  logS: -5.32917  SlogP: 4.2224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12051  Sterimol/B1: 3.02984  Sterimol/B2: 3.26881  Sterimol/B3: 5.69449
  Sterimol/B4: 9.44922  Sterimol/L: 17.733 
 
 Surface and Volume Properties
  Accessible surface: 646.486  Positive charged surface: 311.68  Negative charged surface: 334.807  Volume: 364
  Hydrophobic surface: 552.586  Hydrophilic surface: 93.9
 
 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.