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MAYBRIDGE-ZINC03138553

 MMsINC code: MMs02161638
Type: Neutral
Formula: C19H16O4S
SMILES:   S(Oc1ccc(Oc2ccccc2)cc1)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C19H16O4S/c1-15-7-13-19(14-8-15)24(20,21)23-18-11-9-17(10-12-18)22-16-5-3-2-4-6-16/h2-14H,1H3

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Potential Energy
Epot(MMFF94)=94.623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.399 g/mol  logS: -5.73884  SlogP: 4.55502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0639496  Sterimol/B1: 2.39503  Sterimol/B2: 3.64941  Sterimol/B3: 3.98024
  Sterimol/B4: 7.60075  Sterimol/L: 16.8092 
 
 Surface and Volume Properties
  Accessible surface: 572.144  Positive charged surface: 296.184  Negative charged surface: 275.96  Volume: 311.75
  Hydrophobic surface: 500.047  Hydrophilic surface: 72.097
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.