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ACROSORGANICS-ZINC01665970

 MMsINC code: MMs00010401
Type: Neutral
Formula: C4H10O2S2
SMILES:   S(SCCO)CCO
InChI:   InChI=1/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.47734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.254 g/mol  logS: -1.28114  SlogP: 0.3524  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.075649  Sterimol/B1: 2.85539  Sterimol/B2: 3.02096  Sterimol/B3: 3.1986
  Sterimol/B4: 3.39017  Sterimol/L: 11.7222 
 
 Surface and Volume Properties
  Accessible surface: 334.378  Positive charged surface: 224.513  Negative charged surface: 109.864  Volume: 137.75
  Hydrophobic surface: 158.737  Hydrophilic surface: 175.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.