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DocumentationIdentifier: MM263530
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263530 |
| SMILES |
C#CCC(=C)NC(=N)CO
|
| InChIKey |
QBTCZMWKNWYIGT-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM88838
Similarity: 0.8106
Similarity to MM88838
| Tanimoto metric | 0.8106 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.8954 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135674
Similarity: 0.7424
Similarity to MM135674
| Tanimoto metric | 0.7424 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8522 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263095
Similarity: 0.7171
Similarity to MM263095
| Tanimoto metric | 0.7171 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8352 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+381 more
