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ACROSORGANICS-ZINC01661333

 MMsINC code: MMs00010351
Type: Ionized
Formula: C5H4O4S3-2
SMILES:   S(CC(=O)[O-])C(SCC(=O)[O-])=S
InChI:   InChI=1/C5H6O4S3/c6-3(7)1-11-5(10)12-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)/p-2

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Potential Energy
Epot(MMFF94)=34.0571 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.281 g/mol  logS: -3.78343  SlogP: -1.7625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0507698  Sterimol/B1: 2.32058  Sterimol/B2: 3.3909  Sterimol/B3: 3.70529
  Sterimol/B4: 4.75826  Sterimol/L: 12.8744 
 
 Surface and Volume Properties
  Accessible surface: 387.04  Positive charged surface: 98.526  Negative charged surface: 288.514  Volume: 165.5
  Hydrophobic surface: 68.235  Hydrophilic surface: 318.805
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 4  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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Parent related molecule:


MMs00010350
ACROSORGANICS-ZINC01661333