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CHEMDIV-ZINC00209169

 MMsINC code: MMs00840055
Type: Neutral
Formula: C19H14O3S
SMILES:   S(=O)(=O)(C1c2c(Oc3c1cccc3)cccc2)c1ccccc1
InChI:   InChI=1/C19H14O3S/c20-23(21,14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)22-18-13-7-5-11-16(18)19/h1-13,19H

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Potential Energy
Epot(MMFF94)=90.9242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.384 g/mol  logS: -5.61032  SlogP: 4.4511  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.078971  Sterimol/B1: 3.19459  Sterimol/B2: 3.58422  Sterimol/B3: 3.88954
  Sterimol/B4: 7.04814  Sterimol/L: 14.5698 
 
 Surface and Volume Properties
  Accessible surface: 499.522  Positive charged surface: 255.56  Negative charged surface: 243.963  Volume: 289.5
  Hydrophobic surface: 450.904  Hydrophilic surface: 48.618
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.