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ACROSORGANICS-ZINC01700071

 MMsINC code: MMs00011358
Type: Ionized
Formula: C10H7O4S-
SMILES:   S(=O)(=O)([O-])c1c2c(cccc2)c(O)cc1
InChI:   InChI=1/C10H8O4S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6,11H,(H,12,13,14)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.3611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.228 g/mol  logS: -3.0224  SlogP: 1.4495  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0327907  Sterimol/B1: 2.94727  Sterimol/B2: 3.14968  Sterimol/B3: 3.53229
  Sterimol/B4: 5.93334  Sterimol/L: 11.0377 
 
 Surface and Volume Properties
  Accessible surface: 371.403  Positive charged surface: 136.411  Negative charged surface: 224.327  Volume: 179.5
  Hydrophobic surface: 225.558  Hydrophilic surface: 145.845
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 3  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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Parent related molecule:


MMs00011357
ACROSORGANICS-ZINC01700071