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ENAMINE-ZINC03601349

 MMsINC code: MMs01521272
Type: Neutral
Formula: C16H14Cl2O5S
SMILES:   Clc1ccc(S(=O)(=O)C)cc1C(OCCOc1ccc(Cl)cc1)=O
InChI:   InChI=1/C16H14Cl2O5S/c1-24(20,21)13-6-7-15(18)14(10-13)16(19)23-9-8-22-12-4-2-11(17)3-5-12/h2-7,10H,8-9H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.0757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.255 g/mol  logS: -5.2206  SlogP: 3.6327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0559029  Sterimol/B1: 2.53902  Sterimol/B2: 3.10406  Sterimol/B3: 4.0986
  Sterimol/B4: 8.93637  Sterimol/L: 16.6921 
 
 Surface and Volume Properties
  Accessible surface: 619.05  Positive charged surface: 279.218  Negative charged surface: 339.832  Volume: 319.375
  Hydrophobic surface: 518.951  Hydrophilic surface: 100.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.