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IBS-ZINC06719583

 MMsINC code: MMs01966715
Type: Neutral
Formula: C24H21NO4
SMILES:   o1nc(C)c(-c2ccccc2OC)c1-c1ccc(OCc2ccccc2)cc1O
InChI:   InChI=1/C24H21NO4/c1-16-23(20-10-6-7-11-22(20)27-2)24(29-25-16)19-13-12-18(14-21(19)26)28-15-17-8-4-3-5-9-17/h3-14,26H,15H2,1-2H3

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Potential Energy
Epot(MMFF94)=137.207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.435 g/mol  logS: -6.67289  SlogP: 5.87662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105711  Sterimol/B1: 4.32788  Sterimol/B2: 4.52825  Sterimol/B3: 5.58019
  Sterimol/B4: 6.9198  Sterimol/L: 18.5129 
 
 Surface and Volume Properties
  Accessible surface: 676.63  Positive charged surface: 418.74  Negative charged surface: 257.89  Volume: 373.375
  Hydrophobic surface: 595.902  Hydrophilic surface: 80.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.