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DocumentationIdentifier: MM365426
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365426 |
| SMILES |
C#CCCCNC(=O)CO
|
| InChIKey |
HJHUTUAYPTYAMA-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48592
Similarity: 0.8242
Similarity to MM48592
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364692
Similarity: 0.7677
Similarity to MM364692
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8693 |
| Dice metric | 0.8686 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152886
Similarity: 0.7473
Similarity to MM152886
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+544 more
