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ASINEX-ZINC00615187

 MMsINC code: MMs00141153
Type: Neutral
Formula: C13H13ClN2O3S
SMILES:   Clc1cc(S(=O)(=O)NCc2cccnc2)ccc1OC
InChI:   InChI=1/C13H13ClN2O3S/c1-19-13-5-4-11(7-12(13)14)20(17,18)16-9-10-3-2-6-15-8-10/h2-8,16H,9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.6244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.777 g/mol  logS: -2.51729  SlogP: 2.4885  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0913964  Sterimol/B1: 3.02108  Sterimol/B2: 4.27012  Sterimol/B3: 5.08321
  Sterimol/B4: 6.41136  Sterimol/L: 15.9344 
 
 Surface and Volume Properties
  Accessible surface: 524.229  Positive charged surface: 304.237  Negative charged surface: 219.992  Volume: 263.875
  Hydrophobic surface: 418.033  Hydrophilic surface: 106.196
 
 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.