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DocumentationIdentifier: MM418318
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM418318 |
| SMILES |
CCC#CCC1NC1C=O
|
| InChIKey |
AUUNEWJIYSQAJN-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM416876
Similarity: 0.9638
Similarity to MM416876
| Tanimoto metric | 0.9638 |
|---|---|
| Cosine metric | 0.9817 |
| Dice metric | 0.9815 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM416772
Similarity: 0.7971
Similarity to MM416772
| Tanimoto metric | 0.7971 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8871 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420390
Similarity: 0.7
Similarity to MM420390
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8342 |
| Dice metric | 0.8235 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+121 more
