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ENAMINE-ZINC06654518

 MMsINC code: MMs01694405
Type: Neutral
Formula: C23H29NO4
SMILES:   O1CCCOc2c1cc(cc2)C(NC(=O)COc1cc(C)c(cc1)C)C(C)C
InChI:   InChI=1/C23H29NO4/c1-15(2)23(18-7-9-20-21(13-18)27-11-5-10-26-20)24-22(25)14-28-19-8-6-16(3)17(4)12-19/h6-9,12-13,15,23H,5,10-11,14H2,1-4H3,(H,24,25)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.488 g/mol  logS: -5.50569  SlogP: 4.45254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.037281  Sterimol/B1: 2.5394  Sterimol/B2: 3.25489  Sterimol/B3: 3.91585
  Sterimol/B4: 7.00966  Sterimol/L: 20.9121 
 
 Surface and Volume Properties
  Accessible surface: 692.376  Positive charged surface: 470.652  Negative charged surface: 221.724  Volume: 387.375
  Hydrophobic surface: 599.394  Hydrophilic surface: 92.982
 
 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.