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CHEMDIV-ZINC00225759

 MMsINC code: MMs00844463
Type: Neutral
Formula: C18H13ClO3S
SMILES:   Clc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChI:   InChI=1/C18H13ClO3S/c19-14-6-10-17(11-7-14)23(20,21)18-12-8-16(9-13-18)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)=81.1505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.818 g/mol  logS: -5.86643  SlogP: 4.9651  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.08066  Sterimol/B1: 3.63034  Sterimol/B2: 3.70517  Sterimol/B3: 3.8519
  Sterimol/B4: 4.70606  Sterimol/L: 17.8659 
 
 Surface and Volume Properties
  Accessible surface: 562.793  Positive charged surface: 238.361  Negative charged surface: 324.431  Volume: 302.5
  Hydrophobic surface: 507.334  Hydrophilic surface: 55.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.