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ENAMINE-ZINC05341821

 MMsINC code: MMs01607944
Type: Neutral
Formula: C23H27N3O3
SMILES:   O=C1N(CC(=O)N(C(C)C)c2ccccc2)C(=O)NC1(CCc1ccccc1)C
InChI:   InChI=1/C23H27N3O3/c1-17(2)26(19-12-8-5-9-13-19)20(27)16-25-21(28)23(3,24-22(25)29)15-14-18-10-6-4-7-11-18/h4-13,17H,14-16H2,1-3H3,(H,24,29)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.487 g/mol  logS: -4.9377  SlogP: 3.37127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631316  Sterimol/B1: 2.27411  Sterimol/B2: 4.61958  Sterimol/B3: 6.16762
  Sterimol/B4: 7.19652  Sterimol/L: 16.9903 
 
 Surface and Volume Properties
  Accessible surface: 676.734  Positive charged surface: 388.471  Negative charged surface: 288.263  Volume: 388.75
  Hydrophobic surface: 517.449  Hydrophilic surface: 159.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.