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ACROSORGANICS-ZINC01845652

 MMsINC code: MMs00012008
Type: Neutral
Formula: C10H8S
SMILES:   s1cccc1-c1ccccc1
InChI:   InChI=1/C10H8S/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.3747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.24 g/mol  logS: -3.43381  SlogP: 3.4151  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.63346e-07  Sterimol/B1: 2.17999  Sterimol/B2: 2.19001  Sterimol/B3: 3.60555
  Sterimol/B4: 3.94206  Sterimol/L: 11.7101 
 
 Surface and Volume Properties
  Accessible surface: 348.611  Positive charged surface: 150.933  Negative charged surface: 197.678  Volume: 161.5
  Hydrophobic surface: 348.611  Hydrophilic surface: 0
 
 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.