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ENAMINE-ZINC03468196

 MMsINC code: MMs01460411
Type: Neutral
Formula: C24H24N2O5
SMILES:   O(C)c1cc(ccc1OC)-c1nc2c(cccc2)c(c1)C(OCC(=O)N1CCCC1)=O
InChI:   InChI=1/C24H24N2O5/c1-29-21-10-9-16(13-22(21)30-2)20-14-18(17-7-3-4-8-19(17)25-20)24(28)31-15-23(27)26-11-5-6-12-26/h3-4,7-10,13-14H,5-6,11-12,15H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -5.47005  SlogP: 3.6982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00998632  Sterimol/B1: 2.32053  Sterimol/B2: 2.83001  Sterimol/B3: 2.88832
  Sterimol/B4: 13.1307  Sterimol/L: 19.7418 
 
 Surface and Volume Properties
  Accessible surface: 739.489  Positive charged surface: 520.036  Negative charged surface: 208.079  Volume: 399.75
  Hydrophobic surface: 634.833  Hydrophilic surface: 104.656
 
 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.