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NCID-ZINC04783235

 MMsINC code: MMs02405705
Type: Ionized
Formula: C14H6O8S2-2
SMILES:   S(=O)(=O)([O-])c1cc2c(cc1)C(=O)c1c(cc(S(=O)(=O)[O-])cc1)C2=O
InChI:   InChI=1/C14H8O8S2/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)12-6-8(24(20,21)22)2-4-10(12)13/h1-6H,(H,17,18,19)(H,20,21,22)/p-2

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Potential Energy
Epot(MMFF94)=69.4495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.326 g/mol  logS: -4.12818  SlogP: 0.2702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0156611  Sterimol/B1: 2.77405  Sterimol/B2: 3.20067  Sterimol/B3: 3.69961
  Sterimol/B4: 5.20219  Sterimol/L: 16.0249 
 
 Surface and Volume Properties
  Accessible surface: 498.828  Positive charged surface: 139.019  Negative charged surface: 359.809  Volume: 262.75
  Hydrophobic surface: 200.879  Hydrophilic surface: 297.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 6  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:


MMs02405704
NCID-ZINC04783235