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ENAMINE-ZINC05079192

 MMsINC code: MMs01584714
Type: Neutral
Formula: C24H24N2O5
SMILES:   Oc1cc2c(cc1C(OCC(=O)NCC(=O)Nc1c(cc(cc1C)C)C)=O)cccc2
InChI:   InChI=1/C24H24N2O5/c1-14-8-15(2)23(16(3)9-14)26-21(28)12-25-22(29)13-31-24(30)19-10-17-6-4-5-7-18(17)11-20(19)27/h4-11,27H,12-13H2,1-3H3,(H,25,29)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -6.2464  SlogP: 3.38236  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0228671  Sterimol/B1: 3.40041  Sterimol/B2: 4.13616  Sterimol/B3: 4.58687
  Sterimol/B4: 5.73165  Sterimol/L: 23.6891 
 
 Surface and Volume Properties
  Accessible surface: 738.914  Positive charged surface: 449.569  Negative charged surface: 278.907  Volume: 400.25
  Hydrophobic surface: 578.297  Hydrophilic surface: 160.617
 
 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.