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PUBCHEM-ZINC05338585

 MMsINC code: MMs03244582
Type: Neutral
Formula: C10H10N2O2S
SMILES:   S(=O)(=O)(N)c1c2c(cccc2)c(N)cc1
InChI:   InChI=1/C10H10N2O2S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H,11H2,(H2,12,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.0888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.268 g/mol  logS: -3.21025  SlogP: 1.0694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0594565  Sterimol/B1: 2.62573  Sterimol/B2: 2.96398  Sterimol/B3: 3.29736
  Sterimol/B4: 7.24979  Sterimol/L: 10.6583 
 
 Surface and Volume Properties
  Accessible surface: 387.712  Positive charged surface: 197.325  Negative charged surface: 180.448  Volume: 190.625
  Hydrophobic surface: 209.881  Hydrophilic surface: 177.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03244583
PUBCHEM-ZINC05338585