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NCID-ZINC01700898

 MMsINC code: MMs02330498
Type: Neutral
Formula: C15H16OS
SMILES:   S(Cc1ccccc1)CC(O)c1ccccc1
InChI:   InChI=1/C15H16OS/c16-15(14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=62.3904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.358 g/mol  logS: -3.91568  SlogP: 4.0153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0349601  Sterimol/B1: 3.27154  Sterimol/B2: 3.31283  Sterimol/B3: 3.61318
  Sterimol/B4: 3.70296  Sterimol/L: 16.8164 
 
 Surface and Volume Properties
  Accessible surface: 498.989  Positive charged surface: 281.428  Negative charged surface: 217.562  Volume: 251
  Hydrophobic surface: 431.123  Hydrophilic surface: 67.866
 
 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.