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DocumentationIdentifier: MM272521
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272521 |
| SMILES |
N#CCC(C#N)CC(N)=O
|
| InChIKey |
IYUUWVRHWSRNJI-UHFFFAOYSA-N
|
| MW [Da] |
137.14
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
MM44488
Similarity: 0.7944
Similarity to MM44488
| Tanimoto metric | 0.7944 |
|---|---|
| Cosine metric | 0.8913 |
| Dice metric | 0.8854 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41024
Similarity: 0.7383
Similarity to MM41024
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8593 |
| Dice metric | 0.8495 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272416
Similarity: 0.712
Similarity to MM272416
| Tanimoto metric | 0.712 |
|---|---|
| Cosine metric | 0.8318 |
| Dice metric | 0.8318 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+84 more
