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DocumentationIdentifier: MM74958
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM74958 |
| SMILES |
COCC(CC#N)CCO
|
| InChIKey |
WNYRASWNWYFFTJ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51207
Similarity: 0.7619
Similarity to MM51207
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87758
Similarity: 0.6214
Similarity to MM87758
| Tanimoto metric | 0.6214 |
|---|---|
| Cosine metric | 0.7665 |
| Dice metric | 0.7665 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33829
Similarity: 0.619
Similarity to MM33829
| Tanimoto metric | 0.619 |
|---|---|
| Cosine metric | 0.7868 |
| Dice metric | 0.7647 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+410 more
