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DocumentationIdentifier: MM383995
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383995 |
| SMILES |
CCC=C(C#N)C=CCO
|
| InChIKey |
PFYUIYHHYURZSE-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201042
Similarity: 0.8404
Similarity to MM201042
| Tanimoto metric | 0.8404 |
|---|---|
| Cosine metric | 0.9167 |
| Dice metric | 0.9133 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM344345
Similarity: 0.7328
Similarity to MM344345
| Tanimoto metric | 0.7328 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.8458 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384109
Similarity: 0.7054
Similarity to MM384109
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8273 |
| Dice metric | 0.8272 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+418 more
