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PUBCHEM-ZINC01850544

 MMsINC code: MMs02825574
Type: Neutral
Formula: C4H8S3
SMILES:   S(SSC)CC=C
InChI:   InChI=1/C4H8S3/c1-3-4-6-7-5-2/h3H,1,4H2,2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-7.14788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.306 g/mol  logS: -3.28625  SlogP: 2.8318  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0408776  Sterimol/B1: 2.98505  Sterimol/B2: 3.17025  Sterimol/B3: 3.18548
  Sterimol/B4: 3.32301  Sterimol/L: 11.936 
 
 Surface and Volume Properties
  Accessible surface: 335.599  Positive charged surface: 151.227  Negative charged surface: 153.039  Volume: 139.25
  Hydrophobic surface: 198.38  Hydrophilic surface: 137.219
 
 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.