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ENAMINE-ZINC06293806

 MMsINC code: MMs01660618
Type: Neutral
Formula: C24H21N3O4
SMILES:   O=C1N(CCCC(=O)Nc2ccc(NC(=O)C)cc2)C(=O)c2c3c1cccc3ccc2
InChI:   InChI=1/C24H21N3O4/c1-15(28)25-17-10-12-18(13-11-17)26-21(29)9-4-14-27-23(30)19-7-2-5-16-6-3-8-20(22(16)19)24(27)31/h2-3,5-8,10-13H,4,9,14H2,1H3,(H,25,28)(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.3296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.449 g/mol  logS: -6.10218  SlogP: 3.8131  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0652821  Sterimol/B1: 2.44088  Sterimol/B2: 4.73043  Sterimol/B3: 4.87111
  Sterimol/B4: 6.71439  Sterimol/L: 21.2922 
 
 Surface and Volume Properties
  Accessible surface: 693.745  Positive charged surface: 411.961  Negative charged surface: 271.063  Volume: 385.875
  Hydrophobic surface: 539.625  Hydrophilic surface: 154.12
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.