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MDPI-ZINC04267165

 MMsINC code: MMs02185989
Type: Neutral
Formula: C20H15NO5
SMILES:   O1c2cc(ccc2OC1)\C=C\C(=O)C=1C(=O)N(c2c(cccc2)C=1O)C
InChI:   InChI=1/C20H15NO5/c1-21-14-5-3-2-4-13(14)19(23)18(20(21)24)15(22)8-6-12-7-9-16-17(10-12)26-11-25-16/h2-10,23H,11H2,1H3/b8-6+

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Potential Energy
Epot(MMFF94)=96.9973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.342 g/mol  logS: -4.35304  SlogP: 2.9433  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00500492  Sterimol/B1: 1.969  Sterimol/B2: 2.16493  Sterimol/B3: 2.94932
  Sterimol/B4: 7.41566  Sterimol/L: 19.1343 
 
 Surface and Volume Properties
  Accessible surface: 561.772  Positive charged surface: 349.76  Negative charged surface: 212.012  Volume: 313.75
  Hydrophobic surface: 427.558  Hydrophilic surface: 134.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: no related molecules available.