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PUBCHEM-ZINC05487522

 MMsINC code: MMs03283568
Type: Neutral
Formula: C15H12OS
SMILES:   s1c2c(cc1C(O)c1ccccc1)cccc2
InChI:   InChI=1/C15H12OS/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h1-10,15-16H/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=55.5448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.326 g/mol  logS: -4.57715  SlogP: 4.0785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133767  Sterimol/B1: 2.28027  Sterimol/B2: 3.73703  Sterimol/B3: 4.09591
  Sterimol/B4: 5.73611  Sterimol/L: 13.2922 
 
 Surface and Volume Properties
  Accessible surface: 452.398  Positive charged surface: 220.438  Negative charged surface: 226.549  Volume: 234.75
  Hydrophobic surface: 413.223  Hydrophilic surface: 39.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.