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ENAMINE-ZINC05798060

 MMsINC code: MMs01640357
Type: Neutral
Formula: C19H27N3O3
SMILES:   O=C1N(CC(=O)NC(CC)C)C(=O)NC1(C)c1ccc(cc1)C(C)C
InChI:   InChI=1/C19H27N3O3/c1-6-13(4)20-16(23)11-22-17(24)19(5,21-18(22)25)15-9-7-14(8-10-15)12(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,20,23)(H,21,25)/t13-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.3635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.443 g/mol  logS: -4.66272  SlogP: 2.8032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0578015  Sterimol/B1: 2.32019  Sterimol/B2: 3.38156  Sterimol/B3: 4.63729
  Sterimol/B4: 6.90961  Sterimol/L: 18.439 
 
 Surface and Volume Properties
  Accessible surface: 633.913  Positive charged surface: 417.656  Negative charged surface: 216.257  Volume: 349.625
  Hydrophobic surface: 419.933  Hydrophilic surface: 213.98
 
 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.