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IBS-ZINC05483885

 MMsINC code: MMs01952604
Type: Neutral
Formula: C25H23NO4
SMILES:   o1nc(C)c(c1-c1ccc(OCc2ccc(cc2)C)cc1O)-c1ccc(OC)cc1
InChI:   InChI=1/C25H23NO4/c1-16-4-6-18(7-5-16)15-29-21-12-13-22(23(27)14-21)25-24(17(2)26-30-25)19-8-10-20(28-3)11-9-19/h4-14,27H,15H2,1-3H3

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Potential Energy
Epot(MMFF94)=144.391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.462 g/mol  logS: -7.14681  SlogP: 6.18504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0446744  Sterimol/B1: 3.60369  Sterimol/B2: 3.79462  Sterimol/B3: 6.51064
  Sterimol/B4: 7.12218  Sterimol/L: 19.4135 
 
 Surface and Volume Properties
  Accessible surface: 705.156  Positive charged surface: 442.876  Negative charged surface: 262.28  Volume: 391.375
  Hydrophobic surface: 618.392  Hydrophilic surface: 86.764
 
 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.