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ASINEX-ZINC04848239

 MMsINC code: MMs00378627
Type: Neutral
Formula: C23H30N4O4
SMILES:   O(C)c1ccccc1N(C(=O)CCC(=O)Nc1ncccc1)CC(=O)NC(CC)(C)C
InChI:   InChI=1/C23H30N4O4/c1-5-23(2,3)26-21(29)16-27(17-10-6-7-11-18(17)31-4)22(30)14-13-20(28)25-19-12-8-9-15-24-19/h6-12,15H,5,13-14,16H2,1-4H3,(H,26,29)(H,24,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.517 g/mol  logS: -3.70072  SlogP: 3.1469  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0928999  Sterimol/B1: 2.88125  Sterimol/B2: 4.01548  Sterimol/B3: 4.97139
  Sterimol/B4: 8.98203  Sterimol/L: 20.6783 
 
 Surface and Volume Properties
  Accessible surface: 727.831  Positive charged surface: 517.375  Negative charged surface: 210.456  Volume: 419.875
  Hydrophobic surface: 572.518  Hydrophilic surface: 155.313
 
 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.