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PUBCHEM-ZINC01115684

MMsINC code: MMs02772830

Type: Neutral
Formula: C15H14Cl2N2O4S
SMILES:   Clc1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(O)cc1
InChI:   InChI=1/C15H14Cl2N2O4S/c1-19(2)24(22,23)14-7-11(12(16)8-13(14)17)15(21)18-9-3-5-10(20)6-4-9/h3-8,20H,1-2H3,(H,18,21)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=79.1759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.259 g/mol  logS: -4.37506  SlogP: 3.2016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0512279  Sterimol/B1: 3.47958  Sterimol/B2: 4.06341  Sterimol/B3: 4.22008
  Sterimol/B4: 6.51549  Sterimol/L: 16.9826 
 
 Surface and Volume Properties
  Accessible surface: 570.194  Positive charged surface: 301.348  Negative charged surface: 268.846  Volume: 311.75
  Hydrophobic surface: 436.827  Hydrophilic surface: 133.367
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.