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ASINEX-ZINC01750499

 MMsINC code: MMs00256299
Type: Neutral
Formula: C23H24N4O3
SMILES:   O=C1N(CCCCCC(=O)NCCc2[nH]c3c(n2)cccc3)C(=O)c2c1cccc2
InChI:   InChI=1/C23H24N4O3/c28-21(24-14-13-20-25-18-10-5-6-11-19(18)26-20)12-2-1-7-15-27-22(29)16-8-3-4-9-17(16)23(27)30/h3-6,8-11H,1-2,7,12-15H2,(H,24,28)(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.7161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.47 g/mol  logS: -4.67542  SlogP: 3.07817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0255646  Sterimol/B1: 2.61677  Sterimol/B2: 3.77381  Sterimol/B3: 4.45232
  Sterimol/B4: 5.97205  Sterimol/L: 24.6224 
 
 Surface and Volume Properties
  Accessible surface: 743.112  Positive charged surface: 475.413  Negative charged surface: 267.699  Volume: 389.125
  Hydrophobic surface: 573.9  Hydrophilic surface: 169.212
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.