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MDPI-ZINC03844935

 MMsINC code: MMs02178217
Type: Neutral
Formula: C14H10O8
SMILES:   OC(=O)C(=Cc1cc(ccc1)C=C(C(O)=O)C(O)=O)C(O)=O
InChI:   InChI=1/C14H10O8/c15-11(16)9(12(17)18)5-7-2-1-3-8(4-7)6-10(13(19)20)14(21)22/h1-6H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)

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Potential Energy
Epot(MMFF94)=60.6519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.226 g/mol  logS: -2.34618  SlogP: 0.7918  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101542  Sterimol/B1: 2.229  Sterimol/B2: 2.44405  Sterimol/B3: 4.78924
  Sterimol/B4: 7.10841  Sterimol/L: 14.5464 
 
 Surface and Volume Properties
  Accessible surface: 497.626  Positive charged surface: 296.226  Negative charged surface: 201.4  Volume: 253.125
  Hydrophobic surface: 168.349  Hydrophilic surface: 329.277
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 8  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02178218
MDPI-ZINC03844935