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ACROSORGANICS-ZINC00389835

 MMsINC code: MMs00007228
Type: Neutral
Formula: C7H4O3S2
SMILES:   S1S(=O)(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C7H4O3S2/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.8864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.238 g/mol  logS: -3.13908  SlogP: 1.2623  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534889  Sterimol/B1: 3.06492  Sterimol/B2: 3.06824  Sterimol/B3: 4.29958
  Sterimol/B4: 4.39081  Sterimol/L: 9.79888 
 
 Surface and Volume Properties
  Accessible surface: 331.726  Positive charged surface: 102.603  Negative charged surface: 229.123  Volume: 149.875
  Hydrophobic surface: 161.001  Hydrophilic surface: 170.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.