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ENAMINE-ZINC05341924

 MMsINC code: MMs01607973
Type: Neutral
Formula: C20H27N3O3
SMILES:   O=C1N(C(C(=O)N2CCCCC2)C)C(=O)NC1(CCc1ccccc1)C
InChI:   InChI=1/C20H27N3O3/c1-15(17(24)22-13-7-4-8-14-22)23-18(25)20(2,21-19(23)26)12-11-16-9-5-3-6-10-16/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3,(H,21,26)/t15-,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.0131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.454 g/mol  logS: -3.54078  SlogP: 2.33067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0666544  Sterimol/B1: 2.01096  Sterimol/B2: 3.84467  Sterimol/B3: 4.36838
  Sterimol/B4: 6.70749  Sterimol/L: 18.6194 
 
 Surface and Volume Properties
  Accessible surface: 627.742  Positive charged surface: 408.13  Negative charged surface: 219.613  Volume: 352.875
  Hydrophobic surface: 496.973  Hydrophilic surface: 130.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.