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ASINEX-ZINC01335629

 MMsINC code: MMs00238539
Type: Neutral
Formula: C26H26N4O4
SMILES:   O(C)c1ccccc1NC(=O)N(CC1=Cc2cc(OCC)ccc2NC1=O)Cc1cccnc1
InChI:   InChI=1/C26H26N4O4/c1-3-34-21-10-11-22-19(14-21)13-20(25(31)28-22)17-30(16-18-7-6-12-27-15-18)26(32)29-23-8-4-5-9-24(23)33-2/h4-15H,3,16-17H2,1-2H3,(H,28,31)(H,29,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.7147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.518 g/mol  logS: -4.89417  SlogP: 4.8251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0947139  Sterimol/B1: 4.11642  Sterimol/B2: 5.0331  Sterimol/B3: 5.73939
  Sterimol/B4: 8.2965  Sterimol/L: 18.9558 
 
 Surface and Volume Properties
  Accessible surface: 758.965  Positive charged surface: 524.569  Negative charged surface: 234.396  Volume: 437.75
  Hydrophobic surface: 627.595  Hydrophilic surface: 131.37
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.