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NCID-ZINC04353093

 MMsINC code: MMs02383541
Type: Neutral
Formula: C4H10S2
SMILES:   SCC(CS)C
InChI:   InChI=1/C4H10S2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.2189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.256 g/mol  logS: -1.971  SlogP: 1.4821  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.142975  Sterimol/B1: 2.00206  Sterimol/B2: 2.57479  Sterimol/B3: 3.0981
  Sterimol/B4: 4.69614  Sterimol/L: 10.0753 
 
 Surface and Volume Properties
  Accessible surface: 298.768  Positive charged surface: 182.403  Negative charged surface: 116.365  Volume: 120.625
  Hydrophobic surface: 182.403  Hydrophilic surface: 116.365
 
 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.