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ENAMINE-ZINC06560411

 MMsINC code: MMs01674320
Type: Neutral
Formula: C19H25N3O3
SMILES:   O=C1N(CC(=O)Nc2ccccc2C(CC)C)C(=O)NC1(C)C1CC1
InChI:   InChI=1/C19H25N3O3/c1-4-12(2)14-7-5-6-8-15(14)20-16(23)11-22-17(24)19(3,13-9-10-13)21-18(22)25/h5-8,12-13H,4,9-11H2,1-3H3,(H,20,23)(H,21,25)/t12-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.7814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.427 g/mol  logS: -4.69297  SlogP: 2.8591  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0533676  Sterimol/B1: 2.07962  Sterimol/B2: 2.85888  Sterimol/B3: 4.67441
  Sterimol/B4: 8.46089  Sterimol/L: 16.6844 
 
 Surface and Volume Properties
  Accessible surface: 616.543  Positive charged surface: 387.755  Negative charged surface: 228.788  Volume: 340.25
  Hydrophobic surface: 408.583  Hydrophilic surface: 207.96
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.