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MAYBRIDGE-ZINC04321668

 MMsINC code: MMs02165241
Type: Neutral
Formula: C18H13ClO4S
SMILES:   Clc1ccc(S(Oc2ccc(Oc3ccccc3)cc2)(=O)=O)cc1
InChI:   InChI=1/C18H13ClO4S/c19-14-6-12-18(13-7-14)24(20,21)23-17-10-8-16(9-11-17)22-15-4-2-1-3-5-15/h1-13H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.1714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.817 g/mol  logS: -5.99921  SlogP: 4.9  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0778497  Sterimol/B1: 2.89167  Sterimol/B2: 4.42863  Sterimol/B3: 5.19566
  Sterimol/B4: 5.31439  Sterimol/L: 15.8627 
 
 Surface and Volume Properties
  Accessible surface: 561.841  Positive charged surface: 245.725  Negative charged surface: 316.116  Volume: 309.125
  Hydrophobic surface: 491.533  Hydrophilic surface: 70.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.