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NCID-ZINC01672256

 MMsINC code: MMs02308342
Type: Ionized
Formula: C14H10N2O6S-2
SMILES:   S(=O)(=O)(c1cc(C(=O)[O-])c(N)cc1)c1cc(C(=O)[O-])c(N)cc1
InChI:   InChI=1/C14H12N2O6S/c15-11-3-1-7(5-9(11)13(17)18)23(21,22)8-2-4-12(16)10(6-8)14(19)20/h1-6H,15-16H2,(H,17,18)(H,19,20)/p-2

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Potential Energy
Epot(MMFF94)=65.6304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.308 g/mol  logS: -3.25089  SlogP: -1.5892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159543  Sterimol/B1: 3.46307  Sterimol/B2: 3.77744  Sterimol/B3: 4.57378
  Sterimol/B4: 6.4014  Sterimol/L: 13.3844 
 
 Surface and Volume Properties
  Accessible surface: 506.325  Positive charged surface: 219.612  Negative charged surface: 286.713  Volume: 267.75
  Hydrophobic surface: 185.3  Hydrophilic surface: 321.025
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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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MMs02308341
NCID-ZINC01672256