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ASINEX-ZINC04321483

 MMsINC code: MMs00325840
Type: Ionized
Formula: C10H11O7S3-
SMILES:   S(=O)(=O)(C1CS(=O)(=O)CC1S(=O)(=O)[O-])c1ccccc1
InChI:   InChI=1/C10H12O7S3/c11-18(12)6-9(10(7-18)20(15,16)17)19(13,14)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,15,16,17)/p-1/t9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=6.06058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.389 g/mol  logS: -1.87765  SlogP: -0.8289  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149544  Sterimol/B1: 3.50546  Sterimol/B2: 4.0032  Sterimol/B3: 4.66705
  Sterimol/B4: 4.73549  Sterimol/L: 13.3171 
 
 Surface and Volume Properties
  Accessible surface: 451.666  Positive charged surface: 169.945  Negative charged surface: 281.721  Volume: 243.5
  Hydrophobic surface: 248.433  Hydrophilic surface: 203.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 3  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs00325839
ASINEX-ZINC04321483