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CHEMDIV-ZINC02749559

 MMsINC code: MMs00887507
Type: Neutral
Formula: C24H26N2O3
SMILES:   o1nc(C)c(C(=O)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)c1C
InChI:   InChI=1/C24H26N2O3/c1-17-22(18(2)29-25-17)23(27)26-15-13-21(14-16-26)24(28,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21,28H,13-16H2,1-2H3

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Potential Energy
Epot(MMFF94)=112.522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.483 g/mol  logS: -4.66012  SlogP: 4.39124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200895  Sterimol/B1: 2.25055  Sterimol/B2: 5.44723  Sterimol/B3: 5.91065
  Sterimol/B4: 6.98825  Sterimol/L: 14.9671 
 
 Surface and Volume Properties
  Accessible surface: 641.6  Positive charged surface: 370.234  Negative charged surface: 271.366  Volume: 388.875
  Hydrophobic surface: 571.114  Hydrophilic surface: 70.486
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.