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ENAMINE-ZINC05342650

 MMsINC code: MMs01608201
Type: Neutral
Formula: C19H23N3O4
SMILES:   O1CCC2(NC(=O)N(C(C(=O)N3CCCCC3)C)C2=O)c2c1cccc2
InChI:   InChI=1/C19H23N3O4/c1-13(16(23)21-10-5-2-6-11-21)22-17(24)19(20-18(22)25)9-12-26-15-8-4-3-7-14(15)19/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,20,25)/t13-,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.6875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.41 g/mol  logS: -3.35132  SlogP: 1.9287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0970672  Sterimol/B1: 2.35517  Sterimol/B2: 3.74108  Sterimol/B3: 4.33525
  Sterimol/B4: 7.59609  Sterimol/L: 15.835 
 
 Surface and Volume Properties
  Accessible surface: 576.277  Positive charged surface: 392.688  Negative charged surface: 183.588  Volume: 332.875
  Hydrophobic surface: 456.908  Hydrophilic surface: 119.369
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.