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PUBCHEM-ZINC04755586

 MMsINC code: MMs03166489
Type: Neutral
Formula: C23H24N4O4
SMILES:   O(C)c1cc(NC(=O)N2CC3=C(N=C(NC3=O)c3cc(ccc3)C)CC2)cc(OC)c1
InChI:   InChI=1/C23H24N4O4/c1-14-5-4-6-15(9-14)21-25-20-7-8-27(13-19(20)22(28)26-21)23(29)24-16-10-17(30-2)12-18(11-16)31-3/h4-6,9-12H,7-8,13H2,1-3H3,(H,24,29)(H,25,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.2873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.469 g/mol  logS: -5.07999  SlogP: 3.08052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0394451  Sterimol/B1: 2.15412  Sterimol/B2: 3.03868  Sterimol/B3: 5.98216
  Sterimol/B4: 6.41795  Sterimol/L: 20.7721 
 
 Surface and Volume Properties
  Accessible surface: 711.856  Positive charged surface: 500.797  Negative charged surface: 211.058  Volume: 393
  Hydrophobic surface: 581.364  Hydrophilic surface: 130.492
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.