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AURORAFEINCHEMIE-ZINC04071769

 MMsINC code: MMs00465532
Type: Ionized
Formula: C18H12O10-2
SMILES:   O(C(OC(C(OC(Oc1ccccc1)=O)C(=O)[O-])C(=O)[O-])=O)c1ccccc1
InChI:   InChI=1/C18H14O10/c19-15(20)13(27-17(23)25-11-7-3-1-4-8-11)14(16(21)22)28-18(24)26-12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/p-2/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=95.9169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.284 g/mol  logS: -4.53776  SlogP: -0.3454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0750005  Sterimol/B1: 2.27574  Sterimol/B2: 4.37391  Sterimol/B3: 4.62924
  Sterimol/B4: 5.36485  Sterimol/L: 19.9167 
 
 Surface and Volume Properties
  Accessible surface: 634.976  Positive charged surface: 279.181  Negative charged surface: 355.795  Volume: 322.75
  Hydrophobic surface: 410.178  Hydrophilic surface: 224.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 4  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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MMs00465531
AURORAFEINCHEMIE-ZINC04071769