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IBS-ZINC05451006

 MMsINC code: MMs01947759
Type: Neutral
Formula: C24H21NO3
SMILES:   o1nc(C)c(c1-c1ccc(OCc2ccc(cc2)C)cc1O)-c1ccccc1
InChI:   InChI=1/C24H21NO3/c1-16-8-10-18(11-9-16)15-27-20-12-13-21(22(26)14-20)24-23(17(2)25-28-24)19-6-4-3-5-7-19/h3-14,26H,15H2,1-2H3

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Potential Energy
Epot(MMFF94)=130.948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.436 g/mol  logS: -7.09643  SlogP: 6.17644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042489  Sterimol/B1: 3.60224  Sterimol/B2: 3.65514  Sterimol/B3: 5.86556
  Sterimol/B4: 5.88629  Sterimol/L: 19.5491 
 
 Surface and Volume Properties
  Accessible surface: 661.975  Positive charged surface: 385.871  Negative charged surface: 276.104  Volume: 365.75
  Hydrophobic surface: 585.743  Hydrophilic surface: 76.232
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.