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ASINEX-ZINC02165604

 MMsINC code: MMs00264389
Type: Neutral
Formula: C14H10O3S
SMILES:   S(O)(=O)(=O)c1cc2c(cc1)cc1c(c2)cccc1
InChI:   InChI=1/C14H10O3S/c15-18(16,17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,(H,15,16,17)

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Potential Energy
Epot(MMFF94)=46.3811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.297 g/mol  logS: -5.19071  SlogP: 2.674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0146735  Sterimol/B1: 2.7331  Sterimol/B2: 2.87021  Sterimol/B3: 4.21737
  Sterimol/B4: 4.45328  Sterimol/L: 14.1581 
 
 Surface and Volume Properties
  Accessible surface: 450.806  Positive charged surface: 185.438  Negative charged surface: 243.226  Volume: 224.625
  Hydrophobic surface: 331.912  Hydrophilic surface: 118.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00264390
ASINEX-ZINC02165604