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ACROSORGANICS-ZINC04705782

MMsINC code: MMs00018504

Type: Neutral
Formula: C3H8OS
SMILES:   SCCCO
InChI:   InChI=1/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=4.22857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 92.162 g/mol  logS: -0.57823  SlogP: 0.2986  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.100915  Sterimol/B1: 2.33964  Sterimol/B2: 2.37535  Sterimol/B3: 2.37546
  Sterimol/B4: 3.00276  Sterimol/L: 9.59521 
 
 Surface and Volume Properties
  Accessible surface: 263.286  Positive charged surface: 181.432  Negative charged surface: 81.854  Volume: 93.375
  Hydrophobic surface: 153.498  Hydrophilic surface: 109.788
 
 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.