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CHEMDIV-ZINC02724294

 MMsINC code: MMs00886942
Type: Neutral
Formula: C25H24N2O4
SMILES:   O(C)c1cc(ccc1OC)C(=O)N1CC(=O)Nc2c(cc(cc2)C)C1c1ccccc1
InChI:   InChI=1/C25H24N2O4/c1-16-9-11-20-19(13-16)24(17-7-5-4-6-8-17)27(15-23(28)26-20)25(29)18-10-12-21(30-2)22(14-18)31-3/h4-14,24H,15H2,1-3H3,(H,26,28)/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=179.279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -5.88643  SlogP: 4.29162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.281091  Sterimol/B1: 2.27621  Sterimol/B2: 4.49231  Sterimol/B3: 6.37348
  Sterimol/B4: 9.30544  Sterimol/L: 13.9719 
 
 Surface and Volume Properties
  Accessible surface: 651.419  Positive charged surface: 424.238  Negative charged surface: 227.181  Volume: 395.125
  Hydrophobic surface: 536.969  Hydrophilic surface: 114.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.