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NCID-ZINC01762168

 MMsINC code: MMs02367973
Type: Neutral
Formula: C15H12O2S
SMILES:   S(C(=O)C1OC1c1ccccc1)c1ccccc1
InChI:   InChI=1/C15H12O2S/c16-15(18-12-9-5-2-6-10-12)14-13(17-14)11-7-3-1-4-8-11/h1-10,13-14H/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=51.5602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.325 g/mol  logS: -4.85297  SlogP: 3.5409  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.146725  Sterimol/B1: 2.54708  Sterimol/B2: 3.54751  Sterimol/B3: 3.91386
  Sterimol/B4: 7.5637  Sterimol/L: 11.749 
 
 Surface and Volume Properties
  Accessible surface: 452.277  Positive charged surface: 248.735  Negative charged surface: 203.542  Volume: 244.875
  Hydrophobic surface: 384.428  Hydrophilic surface: 67.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.