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CHEMBLOCK-ZINC02023859

 MMsINC code: MMs00529173
Type: Neutral
Formula: C13H10O4S
SMILES:   S(Oc1ccccc1C=O)(=O)(=O)c1ccccc1
InChI:   InChI=1/C13H10O4S/c14-10-11-6-4-5-9-13(11)17-18(15,16)12-7-2-1-3-8-12/h1-10H

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Potential Energy
Epot(MMFF94)=78.8905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.285 g/mol  logS: -3.48832  SlogP: 2.2668  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.136939  Sterimol/B1: 2.84217  Sterimol/B2: 2.94914  Sterimol/B3: 3.91546
  Sterimol/B4: 6.26679  Sterimol/L: 12.1053 
 
 Surface and Volume Properties
  Accessible surface: 416.847  Positive charged surface: 199.126  Negative charged surface: 217.721  Volume: 222.375
  Hydrophobic surface: 308.946  Hydrophilic surface: 107.901
 
 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.