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ACROSORGANICS-ZINC04284421

 MMsINC code: MMs00018085
Type: Neutral
Formula: C10H14O8S4
SMILES:   S(C(SCC(O)=O)C(SCC(O)=O)SCC(O)=O)CC(O)=O
InChI:   InChI=1/C10H14O8S4/c11-5(12)1-19-9(20-2-6(13)14)10(21-3-7(15)16)22-4-8(17)18/h9-10H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)

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Potential Energy
Epot(MMFF94)=65.4957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.478 g/mol  logS: -3.30288  SlogP: 0.9098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.360005  Sterimol/B1: 3.34579  Sterimol/B2: 3.86926  Sterimol/B3: 6.52523
  Sterimol/B4: 6.62776  Sterimol/L: 13.3506 
 
 Surface and Volume Properties
  Accessible surface: 588.946  Positive charged surface: 320.978  Negative charged surface: 267.968  Volume: 297.75
  Hydrophobic surface: 119.39  Hydrophilic surface: 469.556
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 8  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


MMs00018086
ACROSORGANICS-ZINC04284421