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ENAMINE-ZINC04476419

 MMsINC code: MMs01540181
Type: Neutral
Formula: C19H25N3O3
SMILES:   O=C1N(CC(=O)N2CCCCC2CC)C(=O)NC1(C)c1ccccc1
InChI:   InChI=1/C19H25N3O3/c1-3-15-11-7-8-12-21(15)16(23)13-22-17(24)19(2,20-18(22)25)14-9-5-4-6-10-14/h4-6,9-10,15H,3,7-8,11-13H2,1-2H3,(H,20,25)/t15-,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.7295 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: 0.0757672  Sterimol/B1: 2.4245  Sterimol/B2: 3.03838  Sterimol/B3: 5.06798
  Sterimol/B4: 7.66273  Sterimol/L: 16.1667 
 
 Surface and Volume Properties
  Accessible surface: 593.186  Positive charged surface: 395.662  Negative charged surface: 197.524  Volume: 334.125
  Hydrophobic surface: 460.543  Hydrophilic surface: 132.643
 
 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.