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MAYBRIDGE-ZINC00170396

 MMsINC code: MMs02145873
Type: Neutral
Formula: C11H10O2S
SMILES:   s1ccc(Oc2ccccc2)c1CO
InChI:   InChI=1/C11H10O2S/c12-8-11-10(6-7-14-11)13-9-4-2-1-3-5-9/h1-7,12H,8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.0445 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.265 g/mol  logS: -2.74528  SlogP: 3.2991  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14312  Sterimol/B1: 3.16196  Sterimol/B2: 3.39615  Sterimol/B3: 3.62302
  Sterimol/B4: 5.31577  Sterimol/L: 11.9826 
 
 Surface and Volume Properties
  Accessible surface: 411.41  Positive charged surface: 222.799  Negative charged surface: 188.611  Volume: 193.125
  Hydrophobic surface: 348.689  Hydrophilic surface: 62.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.