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NCID-ZINC01632448

 MMsINC code: MMs02276983
Type: Neutral
Formula: C4H10S3
SMILES:   S(SSCC)CC
InChI:   InChI=1/C4H10S3/c1-3-5-7-6-4-2/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-14.4767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.322 g/mol  logS: -3.44444  SlogP: 3.0558  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0498748  Sterimol/B1: 2.28051  Sterimol/B2: 3.23223  Sterimol/B3: 3.23301
  Sterimol/B4: 3.60639  Sterimol/L: 11.6143 
 
 Surface and Volume Properties
  Accessible surface: 339.935  Positive charged surface: 194.777  Negative charged surface: 118.8  Volume: 144.25
  Hydrophobic surface: 221.135  Hydrophilic surface: 118.8
 
 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.