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DocumentationIdentifier: MM234409
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234409 |
| SMILES |
CCC#CC(C)(O)CC#N
|
| InChIKey |
YCRDTVZPVSFNRY-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40420
Similarity: 0.8545
Similarity to MM40420
| Tanimoto metric | 0.8545 |
|---|---|
| Cosine metric | 0.9244 |
| Dice metric | 0.9216 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59198
Similarity: 0.7581
Similarity to MM59198
| Tanimoto metric | 0.7581 |
|---|---|
| Cosine metric | 0.8624 |
| Dice metric | 0.8624 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234423
Similarity: 0.7364
Similarity to MM234423
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.8482 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+245 more
