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NCID-ZINC05217766

 MMsINC code: MMs02450056
Type: Neutral
Formula: C5H10S3
SMILES:   S1CCCSC1SC
InChI:   InChI=1/C5H10S3/c1-6-5-7-3-2-4-8-5/h5H,2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.47817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.333 g/mol  logS: -2.35328  SlogP: 2.5031  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194968  Sterimol/B1: 2.69304  Sterimol/B2: 3.65967  Sterimol/B3: 3.66811
  Sterimol/B4: 4.02897  Sterimol/L: 10.1233 
 
 Surface and Volume Properties
  Accessible surface: 323.639  Positive charged surface: 189.121  Negative charged surface: 134.518  Volume: 150.125
  Hydrophobic surface: 220.251  Hydrophilic surface: 103.388
 
 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.