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APOLLO-ZINC04277504

 MMsINC code: MMs00057728
Type: Neutral
Formula: C11H16S5
SMILES:   S(C)c1c(SC)c(SC)cc(SC)c1SC
InChI:   InChI=1/C11H16S5/c1-12-7-6-8(13-2)10(15-4)11(16-5)9(7)14-3/h6H,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.579 g/mol  logS: -6.49188  SlogP: 5.2961  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125705  Sterimol/B1: 2.1298  Sterimol/B2: 4.55454  Sterimol/B3: 4.61496
  Sterimol/B4: 7.24522  Sterimol/L: 11.9674 
 
 Surface and Volume Properties
  Accessible surface: 491.225  Positive charged surface: 235.751  Negative charged surface: 255.474  Volume: 279.125
  Hydrophobic surface: 357.216  Hydrophilic surface: 134.009
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.