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PUBCHEM-ZINC00405254

 MMsINC code: MMs02676856
Type: Neutral
Formula: C8H10OS
SMILES:   S(CC)c1ccccc1O
InChI:   InChI=1/C8H10OS/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.1026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.233 g/mol  logS: -2.37154  SlogP: 2.5042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0265295  Sterimol/B1: 2.41448  Sterimol/B2: 2.43574  Sterimol/B3: 4.10787
  Sterimol/B4: 4.33538  Sterimol/L: 11.2922 
 
 Surface and Volume Properties
  Accessible surface: 346.777  Positive charged surface: 207.78  Negative charged surface: 138.998  Volume: 153.125
  Hydrophobic surface: 246.793  Hydrophilic surface: 99.984
 
 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.