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CHEMDIV-ZINC06818608

 MMsINC code: MMs01042121
Type: Neutral
Formula: C24H32N4O3
SMILES:   O1CCN(CC1)C(=O)CCC(=O)Nc1cc2c(nc(N3CCC(CC3)C)cc2C)cc1
InChI:   InChI=1/C24H32N4O3/c1-17-7-9-27(10-8-17)22-15-18(2)20-16-19(3-4-21(20)26-22)25-23(29)5-6-24(30)28-11-13-31-14-12-28/h3-4,15-17H,5-14H2,1-2H3,(H,25,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.545 g/mol  logS: -4.27937  SlogP: 3.35702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0185098  Sterimol/B1: 2.17477  Sterimol/B2: 3.05778  Sterimol/B3: 4.85177
  Sterimol/B4: 7.43271  Sterimol/L: 23.6024 
 
 Surface and Volume Properties
  Accessible surface: 740.887  Positive charged surface: 570.758  Negative charged surface: 165.459  Volume: 419.75
  Hydrophobic surface: 609.54  Hydrophilic surface: 131.347
 
 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.