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ENAMINE-ZINC05079427

 MMsINC code: MMs01584808
Type: Neutral
Formula: C23H20N2O5
SMILES:   Oc1cc2c(cc1C(OCC(=O)Nc1ccccc1C(=O)NC1CC1)=O)cccc2
InChI:   InChI=1/C23H20N2O5/c26-20-12-15-6-2-1-5-14(15)11-18(20)23(29)30-13-21(27)25-19-8-4-3-7-17(19)22(28)24-16-9-10-16/h1-8,11-12,16,26H,9-10,13H2,(H,24,28)(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.422 g/mol  logS: -5.97748  SlogP: 3.2331  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0227893  Sterimol/B1: 2.70802  Sterimol/B2: 4.15451  Sterimol/B3: 4.22518
  Sterimol/B4: 7.15107  Sterimol/L: 20.8449 
 
 Surface and Volume Properties
  Accessible surface: 707.792  Positive charged surface: 408.921  Negative charged surface: 287.8  Volume: 376.75
  Hydrophobic surface: 520.319  Hydrophilic surface: 187.473
 
 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.