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DocumentationIdentifier: MM385965
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385965 |
| SMILES |
CNC(CCC#N)COC
|
| InChIKey |
FFVYDTNEBPJHBL-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198639
Similarity: 0.7619
Similarity to MM198639
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94482
Similarity: 0.7034
Similarity to MM94482
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8267 |
| Dice metric | 0.8259 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385804
Similarity: 0.6891
Similarity to MM385804
| Tanimoto metric | 0.6891 |
|---|---|
| Cosine metric | 0.8167 |
| Dice metric | 0.8159 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+431 more
