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ENAMINE-ZINC05823501

 MMsINC code: MMs01640838
Type: Neutral
Formula: C20H23N3O6
SMILES:   O(CC(=O)NNC(=O)CNC(=O)c1cc(OC)cc(OC)c1)c1cc(ccc1)C
InChI:   InChI=1/C20H23N3O6/c1-13-5-4-6-15(7-13)29-12-19(25)23-22-18(24)11-21-20(26)14-8-16(27-2)10-17(9-14)28-3/h4-10H,11-12H2,1-3H3,(H,21,26)(H,22,24)(H,23,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.419 g/mol  logS: -4.40747  SlogP: 0.96842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00322752  Sterimol/B1: 2.37897  Sterimol/B2: 2.51231  Sterimol/B3: 4.06355
  Sterimol/B4: 6.35945  Sterimol/L: 25.1045 
 
 Surface and Volume Properties
  Accessible surface: 732.528  Positive charged surface: 489.298  Negative charged surface: 243.231  Volume: 373.875
  Hydrophobic surface: 542.117  Hydrophilic surface: 190.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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.