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ALFAAESAR-ZINC00406428

 MMsINC code: MMs00021047
Type: Neutral
Formula: C10H9NO2S
SMILES:   S(=O)(=O)(N)c1cc2c(cc1)cccc2
InChI:   InChI=1/C10H9NO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,11,12,13)

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Potential Energy
Epot(MMFF94)=12.6442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.253 g/mol  logS: -3.48937  SlogP: 1.4872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.05124  Sterimol/B1: 2.81446  Sterimol/B2: 3.16519  Sterimol/B3: 4.20142
  Sterimol/B4: 4.20977  Sterimol/L: 12.0678 
 
 Surface and Volume Properties
  Accessible surface: 386.211  Positive charged surface: 179.642  Negative charged surface: 195.498  Volume: 180.75
  Hydrophobic surface: 256.266  Hydrophilic surface: 129.945
 
 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


MMs00021048
ALFAAESAR-ZINC00406428