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ENAMINE-ZINC04469455

 MMsINC code: MMs01539815
Type: Neutral
Formula: C23H33N3O5
SMILES:   O(CC)c1cc(ccc1OCC)CCNC(=O)CN1C(=O)C2(NC1=O)CCCCCC2
InChI:   InChI=1/C23H33N3O5/c1-3-30-18-10-9-17(15-19(18)31-4-2)11-14-24-20(27)16-26-21(28)23(25-22(26)29)12-7-5-6-8-13-23/h9-10,15H,3-8,11-14,16H2,1-2H3,(H,24,27)(H,25,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 431.533 g/mol  logS: -4.77797  SlogP: 2.78747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0737547  Sterimol/B1: 2.5075  Sterimol/B2: 3.13223  Sterimol/B3: 6.26333
  Sterimol/B4: 8.69847  Sterimol/L: 21.678 
 
 Surface and Volume Properties
  Accessible surface: 765.391  Positive charged surface: 542.803  Negative charged surface: 222.588  Volume: 421.25
  Hydrophobic surface: 585.043  Hydrophilic surface: 180.348
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.