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ENAMINE-ZINC05342643

 MMsINC code: MMs01608194
Type: Neutral
Formula: C24H27N3O4
SMILES:   O1CCC2(NC(=O)N(CC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)c2c1cccc2
InChI:   InChI=1/C24H27N3O4/c1-23(2,3)27(15-17-9-5-4-6-10-17)20(28)16-26-21(29)24(25-22(26)30)13-14-31-19-12-8-7-11-18(19)24/h4-12H,13-16H2,1-3H3,(H,25,30)/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.497 g/mol  logS: -5.01949  SlogP: 3.6214  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142622  Sterimol/B1: 3.82774  Sterimol/B2: 4.1465  Sterimol/B3: 4.28697
  Sterimol/B4: 7.70367  Sterimol/L: 14.0969 
 
 Surface and Volume Properties
  Accessible surface: 636.094  Positive charged surface: 394.733  Negative charged surface: 241.361  Volume: 401.875
  Hydrophobic surface: 483.135  Hydrophilic surface: 152.959
 
 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.