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NCID-ZINC01755058

 MMsINC code: MMs02364199
Type: Neutral
Formula: C19H21NO5
SMILES:   O(C)c1cc(ccc1OC)/C(=N/O)/C=C/c1cc(OC)c(OC)cc1
InChI:   InChI=1/C19H21NO5/c1-22-16-9-6-13(11-18(16)24-3)5-8-15(20-21)14-7-10-17(23-2)19(12-14)25-4/h5-12,21H,1-4H3/b8-5+,20-15-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=147.727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.379 g/mol  logS: -3.98025  SlogP: 3.6127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0290036  Sterimol/B1: 2.51869  Sterimol/B2: 2.6593  Sterimol/B3: 4.37752
  Sterimol/B4: 8.78768  Sterimol/L: 18.23 
 
 Surface and Volume Properties
  Accessible surface: 635.868  Positive charged surface: 482.034  Negative charged surface: 153.834  Volume: 333.375
  Hydrophobic surface: 535.174  Hydrophilic surface: 100.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.