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DocumentationIdentifier: MM87978
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87978 |
| SMILES |
C#CC(CCC#N)NC=O
|
| InChIKey |
KWTRLWHHYCSHTO-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51340
Similarity: 0.8
Similarity to MM51340
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387806
Similarity: 0.7059
Similarity to MM387806
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8276 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272189
Similarity: 0.672
Similarity to MM272189
| Tanimoto metric | 0.672 |
|---|---|
| Cosine metric | 0.8038 |
| Dice metric | 0.8038 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+170 more
