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PUBCHEM-ZINC00363858

 MMsINC code: MMs02663326
Type: Neutral
Formula: C11H8O3S
SMILES:   s1cccc1C(Oc1ccccc1O)=O
InChI:   InChI=1/C11H8O3S/c12-8-4-1-2-5-9(8)14-11(13)10-6-3-7-15-10/h1-7,12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.7059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.248 g/mol  logS: -2.94366  SlogP: 2.6729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676684  Sterimol/B1: 3.287  Sterimol/B2: 3.6618  Sterimol/B3: 3.98302
  Sterimol/B4: 4.06164  Sterimol/L: 13.5654 
 
 Surface and Volume Properties
  Accessible surface: 421.69  Positive charged surface: 192.98  Negative charged surface: 228.71  Volume: 192.75
  Hydrophobic surface: 344.432  Hydrophilic surface: 77.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.