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CHEMDIV-ZINC04791343

 MMsINC code: MMs00956149
Type: Neutral
Formula: C24H28N4O4
SMILES:   O=C1N(CCOC)C(=O)Nc2c1ccc(c2)C(=O)NC1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C24H28N4O4/c1-32-14-13-28-23(30)20-8-7-18(15-21(20)26-24(28)31)22(29)25-19-9-11-27(12-10-19)16-17-5-3-2-4-6-17/h2-8,15,19H,9-14,16H2,1H3,(H,25,29)(H,26,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.8926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.512 g/mol  logS: -4.33885  SlogP: 2.9815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.044893  Sterimol/B1: 2.46373  Sterimol/B2: 3.96407  Sterimol/B3: 4.08408
  Sterimol/B4: 7.84912  Sterimol/L: 21.1069 
 
 Surface and Volume Properties
  Accessible surface: 746.626  Positive charged surface: 534.62  Negative charged surface: 212.005  Volume: 415.375
  Hydrophobic surface: 612.83  Hydrophilic surface: 133.796
 
 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


MMs00956150
CHEMDIV-ZINC04791343