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ACROSORGANICS-ZINC01648147

 MMsINC code: MMs00010163
Type: Ionized
Formula: C10H7NO7S2-2
SMILES:   S(=O)(=O)([O-])c1cc(N)c2c(c1)cc(S(=O)(=O)[O-])cc2O
InChI:   InChI=1/C10H9NO7S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)/p-2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.6233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.298 g/mol  logS: -2.86487  SlogP: -0.0642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0363515  Sterimol/B1: 3.13249  Sterimol/B2: 3.16965  Sterimol/B3: 3.45259
  Sterimol/B4: 6.12072  Sterimol/L: 13.197 
 
 Surface and Volume Properties
  Accessible surface: 446.589  Positive charged surface: 137.089  Negative charged surface: 298.307  Volume: 223
  Hydrophobic surface: 134.248  Hydrophilic surface: 312.341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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:


MMs00010162
ACROSORGANICS-ZINC01648147