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DocumentationIdentifier: MM389528
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389528 |
| SMILES |
CC#CC(CO)NC=NC
|
| InChIKey |
KVOQTUHKCRXEAI-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178361
Similarity: 0.8257
Similarity to MM178361
| Tanimoto metric | 0.8257 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9045 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199587
Similarity: 0.7798
Similarity to MM199587
| Tanimoto metric | 0.7798 |
|---|---|
| Cosine metric | 0.8831 |
| Dice metric | 0.8763 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379724
Similarity: 0.7317
Similarity to MM379724
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.8451 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+184 more
