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NCID-ZINC01690291

 MMsINC code: MMs02322616
Type: Neutral
Formula: C4H10S2
SMILES:   S(CCSC)C
InChI:   InChI=1/C4H10S2/c1-5-3-4-6-2/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.4376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.256 g/mol  logS: -1.5743  SlogP: 1.7124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0509165  Sterimol/B1: 2.37488  Sterimol/B2: 2.37564  Sterimol/B3: 3.10718
  Sterimol/B4: 3.26861  Sterimol/L: 11.6611 
 
 Surface and Volume Properties
  Accessible surface: 317.281  Positive charged surface: 186.955  Negative charged surface: 130.326  Volume: 126.125
  Hydrophobic surface: 239.067  Hydrophilic surface: 78.214
 
 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.