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ACROSORGANICS-ZINC02512371

 MMsINC code: MMs00013798
Type: Neutral
Formula: C5H10OS2
SMILES:   S(SC)C(C=O)(C)C
InChI:   InChI=1/C5H10OS2/c1-5(2,4-6)8-7-3/h4H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.1376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.266 g/mol  logS: -2.37319  SlogP: 1.9751  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.200809  Sterimol/B1: 2.15995  Sterimol/B2: 2.9905  Sterimol/B3: 4.09302
  Sterimol/B4: 4.69482  Sterimol/L: 10.1256 
 
 Surface and Volume Properties
  Accessible surface: 314.615  Positive charged surface: 161.189  Negative charged surface: 153.425  Volume: 140.875
  Hydrophobic surface: 164.417  Hydrophilic surface: 150.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.