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CHEMDIV-ZINC06767388

 MMsINC code: MMs01017025
Type: Neutral
Formula: C24H23N3O3
SMILES:   O=C1N(N=C(C2=C1CCCC2)c1ccccc1)CC(=O)Nc1ccc(cc1)C(=O)C
InChI:   InChI=1/C24H23N3O3/c1-16(28)17-11-13-19(14-12-17)25-22(29)15-27-24(30)21-10-6-5-9-20(21)23(26-27)18-7-3-2-4-8-18/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3,(H,25,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.466 g/mol  logS: -5.88872  SlogP: 3.9448  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0774222  Sterimol/B1: 2.88072  Sterimol/B2: 5.6656  Sterimol/B3: 5.7348
  Sterimol/B4: 6.36757  Sterimol/L: 18.5595 
 
 Surface and Volume Properties
  Accessible surface: 680.742  Positive charged surface: 417.683  Negative charged surface: 263.059  Volume: 383
  Hydrophobic surface: 556.282  Hydrophilic surface: 124.46
 
 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.