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NCID-ZINC04428360

 MMsINC code: MMs02386749
Type: Ionized
Formula: C11HO10-5
SMILES:   O=C([O-])c1c(C(=O)[O-])c(cc(C(=O)[O-])c1C(=O)[O-])C(=O)[O-]
InChI:   InChI=1/C11H6O10/c12-7(13)2-1-3(8(14)15)5(10(18)19)6(11(20)21)4(2)9(16)17/h1H,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21)/p-5

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Potential Energy
Epot(MMFF94)=182.005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.119 g/mol  logS: -2.53413  SlogP: -6.4959  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0922563  Sterimol/B1: 2.88148  Sterimol/B2: 2.88258  Sterimol/B3: 2.89566
  Sterimol/B4: 6.71799  Sterimol/L: 10.2322 
 
 Surface and Volume Properties
  Accessible surface: 414.246  Positive charged surface: 51.7173  Negative charged surface: 362.529  Volume: 205.25
  Hydrophobic surface: 44.436  Hydrophilic surface: 369.81
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 10  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: 0
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Parent related molecule:


MMs02386748
NCID-ZINC04428360