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PUBCHEM-ZINC02691967

MMsINC code: MMs02910533

Type: Neutral
Formula: C23H19N3O4
SMILES:   O(C(=O)c1ccccc1)c1cc(ccc1)\C=N\NC(=O)CNC(=O)c1ccccc1
InChI:   InChI=1/C23H19N3O4/c27-21(16-24-22(28)18-9-3-1-4-10-18)26-25-15-17-8-7-13-20(14-17)30-23(29)19-11-5-2-6-12-19/h1-15H,16H2,(H,24,28)(H,26,27)/b25-15+

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=128.404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.422 g/mol  logS: -5.82478  SlogP: 2.7859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0127044  Sterimol/B1: 3.28416  Sterimol/B2: 3.74724  Sterimol/B3: 4.88833
  Sterimol/B4: 5.00256  Sterimol/L: 24.8806 
 
 Surface and Volume Properties
  Accessible surface: 731.097  Positive charged surface: 409.525  Negative charged surface: 321.572  Volume: 379.375
  Hydrophobic surface: 567.254  Hydrophilic surface: 163.843
 
 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.