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ENAMINE-ZINC05254455

 MMsINC code: MMs01601884
Type: Neutral
Formula: C19H26N2O5
SMILES:   O(C(=O)c1ccc(cc1)COC)C(C(=O)NC(=O)NC1CCCCC1)C
InChI:   InChI=1/C19H26N2O5/c1-13(17(22)21-19(24)20-16-6-4-3-5-7-16)26-18(23)15-10-8-14(9-11-15)12-25-2/h8-11,13,16H,3-7,12H2,1-2H3,(H2,20,21,22,24)/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.4836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.426 g/mol  logS: -4.08226  SlogP: 2.8032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0243276  Sterimol/B1: 2.17384  Sterimol/B2: 2.5467  Sterimol/B3: 4.05944
  Sterimol/B4: 8.04524  Sterimol/L: 21.8518 
 
 Surface and Volume Properties
  Accessible surface: 684.872  Positive charged surface: 487.872  Negative charged surface: 197  Volume: 350.625
  Hydrophobic surface: 528.093  Hydrophilic surface: 156.779
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.