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OAKWOOD-ZINC02565633

 MMsINC code: MMs02546271
Type: Neutral
Formula: C12H10OS
SMILES:   Sc1ccc(Oc2ccccc2)cc1
InChI:   InChI=1/C12H10OS/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,14H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.2959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.277 g/mol  logS: -4.18557  SlogP: 3.7676  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111783  Sterimol/B1: 3.12011  Sterimol/B2: 3.60578  Sterimol/B3: 3.67455
  Sterimol/B4: 4.7484  Sterimol/L: 13.4372 
 
 Surface and Volume Properties
  Accessible surface: 409.174  Positive charged surface: 210.007  Negative charged surface: 199.167  Volume: 198.875
  Hydrophobic surface: 357.072  Hydrophilic surface: 52.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.