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ENAMINE-ZINC03482283

 MMsINC code: MMs01466728
Type: Neutral
Formula: C23H20N2O4
SMILES:   O(C(=O)c1c2CCCc2nc2c1cccc2)CC(=O)Nc1cc(ccc1)C(=O)C
InChI:   InChI=1/C23H20N2O4/c1-14(26)15-6-4-7-16(12-15)24-21(27)13-29-23(28)22-17-8-2-3-10-19(17)25-20-11-5-9-18(20)22/h2-4,6-8,10,12H,5,9,11,13H2,1H3,(H,24,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.423 g/mol  logS: -5.23744  SlogP: 3.72154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10239  Sterimol/B1: 2.45378  Sterimol/B2: 4.58001  Sterimol/B3: 6.42204
  Sterimol/B4: 7.16542  Sterimol/L: 16.8461 
 
 Surface and Volume Properties
  Accessible surface: 680.673  Positive charged surface: 399.778  Negative charged surface: 276.103  Volume: 366.125
  Hydrophobic surface: 543.168  Hydrophilic surface: 137.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.