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ASINEX-ZINC04405150

 MMsINC code: MMs00333165
Type: Neutral
Formula: C26H35NO4
SMILES:   O(C)c1cc(ccc1OC)CC(=O)NCC1(CCCC1)c1ccc(OCCCC)cc1
InChI:   InChI=1/C26H35NO4/c1-4-5-16-31-22-11-9-21(10-12-22)26(14-6-7-15-26)19-27-25(28)18-20-8-13-23(29-2)24(17-20)30-3/h8-13,17H,4-7,14-16,18-19H2,1-3H3,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.569 g/mol  logS: -5.94913  SlogP: 5.05337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0410488  Sterimol/B1: 3.0308  Sterimol/B2: 3.04291  Sterimol/B3: 4.29867
  Sterimol/B4: 10.7481  Sterimol/L: 23.0528 
 
 Surface and Volume Properties
  Accessible surface: 791.699  Positive charged surface: 599.645  Negative charged surface: 192.054  Volume: 443.25
  Hydrophobic surface: 717.048  Hydrophilic surface: 74.651
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.