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ACROSORGANICS-ZINC00154638

 MMsINC code: MMs00004954
Type: Neutral
Formula: C12H10O2S
SMILES:   S(=O)(=O)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.1518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.276 g/mol  logS: -3.34943  SlogP: 2.5194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153762  Sterimol/B1: 2.12873  Sterimol/B2: 3.61851  Sterimol/B3: 3.61859
  Sterimol/B4: 5.17096  Sterimol/L: 11.9956 
 
 Surface and Volume Properties
  Accessible surface: 407.019  Positive charged surface: 183.015  Negative charged surface: 224.005  Volume: 201.125
  Hydrophobic surface: 350.43  Hydrophilic surface: 56.589
 
 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.