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PUBCHEM-ZINC03165377

 MMsINC code: MMs03004133
Type: Neutral
Formula: C6H16P2S2
SMILES:   S=P(CCP(=S)(C)C)(C)C
InChI:   InChI=1/C6H16P2S2/c1-7(2,9)5-6-8(3,4)10/h5-6H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.7235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.274 g/mol  logS: -1.12054  SlogP: 2.4646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188176  Sterimol/B1: 2.21188  Sterimol/B2: 3.058  Sterimol/B3: 5.0917
  Sterimol/B4: 5.25073  Sterimol/L: 11.873 
 
 Surface and Volume Properties
  Accessible surface: 420.977  Positive charged surface: 227.63  Negative charged surface: 193.347  Volume: 202.875
  Hydrophobic surface: 231.79  Hydrophilic surface: 189.187
 
 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.