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ENAMINE-ZINC05212198

MMsINC code: MMs01598239

Type: Neutral
Formula: C23H16N2O5
SMILES:   O=C1N(COC(=O)c2ccccc2NC(=O)c2ccccc2)C(=O)c2c1cccc2
InChI:   InChI=1/C23H16N2O5/c26-20(15-8-2-1-3-9-15)24-19-13-7-6-12-18(19)23(29)30-14-25-21(27)16-10-4-5-11-17(16)22(25)28/h1-13H,14H2,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=104.738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.39 g/mol  logS: -5.78629  SlogP: 3.3494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137525  Sterimol/B1: 2.49329  Sterimol/B2: 3.68471  Sterimol/B3: 4.42877
  Sterimol/B4: 10.9951  Sterimol/L: 14.9307 
 
 Surface and Volume Properties
  Accessible surface: 643.791  Positive charged surface: 358.931  Negative charged surface: 284.86  Volume: 362.375
  Hydrophobic surface: 526.176  Hydrophilic surface: 117.615
 
 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.