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ENAMINE-ZINC04477225

 MMsINC code: MMs01540405
Type: Neutral
Formula: C19H25N3O3
SMILES:   O=C1N(CC(=O)N2CCCCC2C)C(=O)NC1(CC)c1ccccc1
InChI:   InChI=1/C19H25N3O3/c1-3-19(15-10-5-4-6-11-15)17(24)22(18(25)20-19)13-16(23)21-12-8-7-9-14(21)2/h4-6,10-11,14H,3,7-9,12-13H2,1-2H3,(H,20,25)/t14-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.6154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.427 g/mol  logS: -3.47931  SlogP: 2.5562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0695499  Sterimol/B1: 2.55348  Sterimol/B2: 3.84564  Sterimol/B3: 3.95981
  Sterimol/B4: 7.28237  Sterimol/L: 16.7215 
 
 Surface and Volume Properties
  Accessible surface: 580.317  Positive charged surface: 386.35  Negative charged surface: 193.967  Volume: 333
  Hydrophobic surface: 457.13  Hydrophilic surface: 123.187
 
 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.