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ENAMINE-ZINC03369187

 MMsINC code: MMs01400666
Type: Neutral
Formula: C19H25N3O5
SMILES:   O=C1N(CC(OC(C(=O)Nc2ccc(cc2)C)C)=O)C(=O)NC1(CC)CC
InChI:   InChI=1/C19H25N3O5/c1-5-19(6-2)17(25)22(18(26)21-19)11-15(23)27-13(4)16(24)20-14-9-7-12(3)8-10-14/h7-10,13H,5-6,11H2,1-4H3,(H,20,24)(H,21,26)/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.6448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.425 g/mol  logS: -4.29818  SlogP: 1.97582  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0519891  Sterimol/B1: 2.23282  Sterimol/B2: 3.20556  Sterimol/B3: 5.14661
  Sterimol/B4: 6.33103  Sterimol/L: 19.7344 
 
 Surface and Volume Properties
  Accessible surface: 653.414  Positive charged surface: 409.784  Negative charged surface: 243.63  Volume: 355
  Hydrophobic surface: 456.242  Hydrophilic surface: 197.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.