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ACROSORGANICS-ZINC00388704

MMsINC code: MMs00007115

Type: Neutral
Formula: C5H6OS
SMILES:   SCc1occc1
InChI:   InChI=1/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=13.0902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.168 g/mol  logS: -2.09847  SlogP: 1.9758  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0807551  Sterimol/B1: 2.62922  Sterimol/B2: 2.99616  Sterimol/B3: 3.23298
  Sterimol/B4: 3.50306  Sterimol/L: 9.42415 
 
 Surface and Volume Properties
  Accessible surface: 284.934  Positive charged surface: 138.744  Negative charged surface: 146.19  Volume: 108.625
  Hydrophobic surface: 209.468  Hydrophilic surface: 75.466
 
 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.