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CHEMDIV-ZINC00948674

 MMsINC code: MMs00859883
Type: Neutral
Formula: C21H18O3S
SMILES:   S(=O)(=O)(C1c2cc(ccc2Oc2c1cccc2)C)c1ccc(cc1)C
InChI:   InChI=1/C21H18O3S/c1-14-7-10-16(11-8-14)25(22,23)21-17-5-3-4-6-19(17)24-20-12-9-15(2)13-18(20)21/h3-13,21H,1-2H3/t21-/m0/s1

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Potential Energy
Epot(MMFF94)=96.2312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.438 g/mol  logS: -6.55816  SlogP: 5.06794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561864  Sterimol/B1: 3.00046  Sterimol/B2: 3.43646  Sterimol/B3: 4.24953
  Sterimol/B4: 7.42542  Sterimol/L: 15.5209 
 
 Surface and Volume Properties
  Accessible surface: 566.007  Positive charged surface: 307.9  Negative charged surface: 258.107  Volume: 325.625
  Hydrophobic surface: 517.298  Hydrophilic surface: 48.709
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.