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PUBCHEM-ZINC02581442

 MMsINC code: MMs02904008
Type: Neutral
Formula: C3H8S2
SMILES:   S(SC)CC
InChI:   InChI=1/C3H8S2/c1-3-5-4-2/h3H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.73034 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 108.229 g/mol  logS: -2.01343  SlogP: 2.0175  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.117286  Sterimol/B1: 2.34955  Sterimol/B2: 2.67029  Sterimol/B3: 3.60491
  Sterimol/B4: 3.70196  Sterimol/L: 8.92298 
 
 Surface and Volume Properties
  Accessible surface: 276.679  Positive charged surface: 150.547  Negative charged surface: 126.131  Volume: 107.625
  Hydrophobic surface: 175.718  Hydrophilic surface: 100.961
 
 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.