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PUBCHEM-ZINC04476938

 MMsINC code: MMs03124830
Type: Neutral
Formula: C10H8O2S
SMILES:   S(O)(=O)c1cc2c(cc1)cccc2
InChI:   InChI=1/C10H8O2S/c11-13(12)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.4094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.238 g/mol  logS: -3.46231  SlogP: 1.8547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0199921  Sterimol/B1: 2.41544  Sterimol/B2: 3.16875  Sterimol/B3: 3.73717
  Sterimol/B4: 4.47489  Sterimol/L: 12.1057 
 
 Surface and Volume Properties
  Accessible surface: 371.977  Positive charged surface: 188.359  Negative charged surface: 172.546  Volume: 170
  Hydrophobic surface: 263.923  Hydrophilic surface: 108.054
 
 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


MMs03124831
PUBCHEM-ZINC04476938