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NCID-ZINC01621619

 MMsINC code: MMs02269486
Type: Neutral
Formula: C4H10S2
SMILES:   S(C(SC)C)C
InChI:   InChI=1/C4H10S2/c1-4(5-2)6-3/h4H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.4114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.256 g/mol  logS: -1.78224  SlogP: 2.0584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153316  Sterimol/B1: 2.39871  Sterimol/B2: 2.98621  Sterimol/B3: 3.67176
  Sterimol/B4: 5.67385  Sterimol/L: 8.40784 
 
 Surface and Volume Properties
  Accessible surface: 296.781  Positive charged surface: 162.754  Negative charged surface: 134.026  Volume: 123.875
  Hydrophobic surface: 210.22  Hydrophilic surface: 86.561
 
 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.