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ENAMINE-ZINC03453168

 MMsINC code: MMs01452021
Type: Neutral
Formula: C19H29NO6
SMILES:   O(C)c1c(OC)cc(cc1OC)CC(OCC(=O)N(C(C)C)C(C)C)=O
InChI:   InChI=1/C19H29NO6/c1-12(2)20(13(3)4)17(21)11-26-18(22)10-14-8-15(23-5)19(25-7)16(9-14)24-6/h8-9,12-13H,10-11H2,1-7H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.442 g/mol  logS: -3.35464  SlogP: 2.44347  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0585814  Sterimol/B1: 3.636  Sterimol/B2: 4.45493  Sterimol/B3: 4.69715
  Sterimol/B4: 7.39609  Sterimol/L: 18.8907 
 
 Surface and Volume Properties
  Accessible surface: 672.936  Positive charged surface: 517.47  Negative charged surface: 155.467  Volume: 361.625
  Hydrophobic surface: 516.004  Hydrophilic surface: 156.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.