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DocumentationIdentifier: MM46574
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46574 |
| SMILES |
C#CC(CC#N)NCC=C
|
| InChIKey |
AJYVYBVGANRTOV-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199121
Similarity: 0.7404
Similarity to MM199121
| Tanimoto metric | 0.7404 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8508 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44943
Similarity: 0.7304
Similarity to MM44943
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8451 |
| Dice metric | 0.8442 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289231
Similarity: 0.68
Similarity to MM289231
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8096 |
| Dice metric | 0.8095 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+66 more
