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DocumentationIdentifier: MM45103
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45103 |
| SMILES |
CC(=CC#CCN)NC=O
|
| InChIKey |
YIUSGAPFJNBTSG-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM292499
Similarity: 0.7727
Similarity to MM292499
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8718 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292523
Similarity: 0.7706
Similarity to MM292523
| Tanimoto metric | 0.7706 |
|---|---|
| Cosine metric | 0.8705 |
| Dice metric | 0.8705 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292516
Similarity: 0.7345
Similarity to MM292516
| Tanimoto metric | 0.7345 |
|---|---|
| Cosine metric | 0.847 |
| Dice metric | 0.8469 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
