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IBS-ZINC01801716

 MMsINC code: MMs01775715
Type: Neutral
Formula: C7H16O5S3
SMILES:   S(=O)(=O)(CCCCC)CCSS(O)(=O)=O
InChI:   InChI=1/C7H16O5S3/c1-2-3-4-6-14(8,9)7-5-13-15(10,11)12/h2-7H2,1H3,(H,10,11,12)

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Potential Energy
Epot(MMFF94)=-15.6444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.398 g/mol  logS: -2.38548  SlogP: 0.5617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0518536  Sterimol/B1: 2.82464  Sterimol/B2: 3.0515  Sterimol/B3: 3.69136
  Sterimol/B4: 5.12813  Sterimol/L: 15.8644 
 
 Surface and Volume Properties
  Accessible surface: 474.014  Positive charged surface: 252.977  Negative charged surface: 221.038  Volume: 219.375
  Hydrophobic surface: 235.312  Hydrophilic surface: 238.702
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs01775716
IBS-ZINC01801716