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PUBCHEM-ZINC04760487

 MMsINC code: MMs03167046
Type: Neutral
Formula: C14H10O3S
SMILES:   S(O)(=O)(=O)c1c2c(cc3c(c2)cccc3)ccc1
InChI:   InChI=1/C14H10O3S/c15-18(16,17)14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,(H,15,16,17)

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Potential Energy
Epot(MMFF94)=55.1399 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: 0.0147191  Sterimol/B1: 2.44912  Sterimol/B2: 3.34252  Sterimol/B3: 4.31684
  Sterimol/B4: 5.11357  Sterimol/L: 12.6737 
 
 Surface and Volume Properties
  Accessible surface: 444.43  Positive charged surface: 185.237  Negative charged surface: 237.05  Volume: 223.375
  Hydrophobic surface: 331.286  Hydrophilic surface: 113.144
 
 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


MMs03167047
PUBCHEM-ZINC04760487