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ACROSORGANICS-ZINC02575238

 MMsINC code: MMs00014741
Type: Neutral
Formula: C14H12O2S
SMILES:   S(Cc1ccccc1C(O)=O)c1ccccc1
InChI:   InChI=1/C14H12O2S/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.3855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.314 g/mol  logS: -4.14358  SlogP: 3.9435  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.083894  Sterimol/B1: 3.46226  Sterimol/B2: 4.17347  Sterimol/B3: 4.28722
  Sterimol/B4: 5.31677  Sterimol/L: 14.4872 
 
 Surface and Volume Properties
  Accessible surface: 460.509  Positive charged surface: 243.567  Negative charged surface: 216.942  Volume: 232.25
  Hydrophobic surface: 352.636  Hydrophilic surface: 107.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00014742
ACROSORGANICS-ZINC02575238