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PUBCHEM-ZINC00338538

 MMsINC code: MMs02658530
Type: Neutral
Formula: C12H10O3S
SMILES:   s1cccc1C(Oc1ccccc1OC)=O
InChI:   InChI=1/C12H10O3S/c1-14-9-5-2-3-6-10(9)15-12(13)11-7-4-8-16-11/h2-8H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.3249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.275 g/mol  logS: -3.35599  SlogP: 2.9759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0640788  Sterimol/B1: 2.39038  Sterimol/B2: 3.62507  Sterimol/B3: 3.64495
  Sterimol/B4: 7.2976  Sterimol/L: 13.5055 
 
 Surface and Volume Properties
  Accessible surface: 448.604  Positive charged surface: 238.352  Negative charged surface: 210.252  Volume: 213.375
  Hydrophobic surface: 411.344  Hydrophilic surface: 37.26
 
 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.