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ASINEX-ZINC00836913

 MMsINC code: MMs00186968
Type: Neutral
Formula: C19H15ClO4S
SMILES:   Clc1ccc(S(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2)cc1
InChI:   InChI=1/C19H15ClO4S/c1-23-15-4-6-16(7-5-15)24-17-8-12-19(13-9-17)25(21,22)18-10-2-14(20)3-11-18/h2-13H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.1837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.844 g/mol  logS: -5.91681  SlogP: 4.9737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0575449  Sterimol/B1: 3.64207  Sterimol/B2: 3.7019  Sterimol/B3: 4.10889
  Sterimol/B4: 4.42114  Sterimol/L: 20.1956 
 
 Surface and Volume Properties
  Accessible surface: 604.173  Positive charged surface: 294.774  Negative charged surface: 309.399  Volume: 326
  Hydrophobic surface: 538.516  Hydrophilic surface: 65.657
 
 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.