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DocumentationIdentifier: MM356166
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356166 |
| SMILES |
C=COCC(=C)OCC#N
|
| InChIKey |
ZVOUQGVZOMYMGI-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45937
Similarity: 0.8642
Similarity to MM45937
| Tanimoto metric | 0.8642 |
|---|---|
| Cosine metric | 0.9296 |
| Dice metric | 0.9272 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355891
Similarity: 0.8046
Similarity to MM355891
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.8922 |
| Dice metric | 0.8917 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83248
Similarity: 0.7303
Similarity to MM83248
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.8442 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+321 more
