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IBS-ZINC06719437

 MMsINC code: MMs01966538
Type: Neutral
Formula: C24H21NO4
SMILES:   o1nc(C)c(c1-c1ccc(OCc2ccccc2)cc1O)-c1ccc(OC)cc1
InChI:   InChI=1/C24H21NO4/c1-16-23(18-8-10-19(27-2)11-9-18)24(29-25-16)21-13-12-20(14-22(21)26)28-15-17-6-4-3-5-7-17/h3-14,26H,15H2,1-2H3

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Potential Energy
Epot(MMFF94)=142.641 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: 0.0574966  Sterimol/B1: 3.48299  Sterimol/B2: 3.82954  Sterimol/B3: 4.40432
  Sterimol/B4: 9.1899  Sterimol/L: 18.449 
 
 Surface and Volume Properties
  Accessible surface: 678.537  Positive charged surface: 420.847  Negative charged surface: 257.691  Volume: 373.875
  Hydrophobic surface: 589.31  Hydrophilic surface: 89.227
 
 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.