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ENAMINE-ZINC05106213

 MMsINC code: MMs01586550
Type: Neutral
Formula: C22H24N2O5
SMILES:   O(C(=O)c1ccc(cc1)CO)CC(=O)Nc1ccccc1C(=O)NC1CCCC1
InChI:   InChI=1/C22H24N2O5/c25-13-15-9-11-16(12-10-15)22(28)29-14-20(26)24-19-8-4-3-7-18(19)21(27)23-17-5-1-2-6-17/h3-4,7-12,17,25H,1-2,5-6,13-14H2,(H,23,27)(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.1407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.443 g/mol  logS: -4.63611  SlogP: 2.9132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0250262  Sterimol/B1: 2.63342  Sterimol/B2: 3.52837  Sterimol/B3: 3.69417
  Sterimol/B4: 8.39356  Sterimol/L: 22.3839 
 
 Surface and Volume Properties
  Accessible surface: 708.765  Positive charged surface: 460.433  Negative charged surface: 248.332  Volume: 373.875
  Hydrophobic surface: 547.819  Hydrophilic surface: 160.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.