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PUBCHEM-ZINC00005691

 MMsINC code: MMs02626110
Type: Neutral
Formula: C15H11ClN2O3S
SMILES:   Clc1cc2c([nH]c(C(=O)N)c2S(=O)(=O)c2ccccc2)cc1
InChI:   InChI=1/C15H11ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.1696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.783 g/mol  logS: -4.77866  SlogP: 2.753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126981  Sterimol/B1: 2.17257  Sterimol/B2: 4.30155  Sterimol/B3: 5.47833
  Sterimol/B4: 7.20223  Sterimol/L: 13.018 
 
 Surface and Volume Properties
  Accessible surface: 505.471  Positive charged surface: 218.042  Negative charged surface: 283.337  Volume: 274.75
  Hydrophobic surface: 352.55  Hydrophilic surface: 152.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.