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DocumentationIdentifier: MM357881
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357881 |
| SMILES |
C#CC=CC(=C)OCC#N
|
| InChIKey |
NXHJQCAWPODQBN-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157337
Similarity: 0.7979
Similarity to MM157337
| Tanimoto metric | 0.7979 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8876 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83766
Similarity: 0.7075
Similarity to MM83766
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8293 |
| Dice metric | 0.8287 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113394
Similarity: 0.6277
Similarity to MM113394
| Tanimoto metric | 0.6277 |
|---|---|
| Cosine metric | 0.7922 |
| Dice metric | 0.7712 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+62 more
