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CHEMDIV-ZINC00209204

 MMsINC code: MMs00840066
Type: Neutral
Formula: C20H16O3S
SMILES:   S(=O)(=O)(C1c2cc(ccc2Oc2c1cccc2)C)c1ccccc1
InChI:   InChI=1/C20H16O3S/c1-14-11-12-19-17(13-14)20(16-9-5-6-10-18(16)23-19)24(21,22)15-7-3-2-4-8-15/h2-13,20H,1H3/t20-/m0/s1

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Potential Energy
Epot(MMFF94)=93.4704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.411 g/mol  logS: -6.08424  SlogP: 4.75952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0694355  Sterimol/B1: 2.75477  Sterimol/B2: 3.16769  Sterimol/B3: 4.50331
  Sterimol/B4: 7.72499  Sterimol/L: 14.7176 
 
 Surface and Volume Properties
  Accessible surface: 531.545  Positive charged surface: 282.079  Negative charged surface: 249.466  Volume: 310.375
  Hydrophobic surface: 484.16  Hydrophilic surface: 47.385
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.