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ACROSORGANICS-ZINC03860693

 MMsINC code: MMs00015517
Type: Neutral
Formula: C3H8S2
SMILES:   SCCCS
InChI:   InChI=1/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.43689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 108.229 g/mol  logS: -1.76923  SlogP: 1.2361  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0911258  Sterimol/B1: 2.34875  Sterimol/B2: 2.37519  Sterimol/B3: 2.37541
  Sterimol/B4: 2.99859  Sterimol/L: 10.0821 
 
 Surface and Volume Properties
  Accessible surface: 281.259  Positive charged surface: 168.083  Negative charged surface: 113.176  Volume: 104
  Hydrophobic surface: 171.747  Hydrophilic surface: 109.512
 
 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.