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DocumentationIdentifier: MM385923
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385923 |
| SMILES |
C#CCC=C(CO)CC#N
|
| InChIKey |
BPHPEHWBDLPDAG-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178941
Similarity: 0.7921
Similarity to MM178941
| Tanimoto metric | 0.7921 |
|---|---|
| Cosine metric | 0.89 |
| Dice metric | 0.884 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM333260
Similarity: 0.7327
Similarity to MM333260
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8457 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385606
Similarity: 0.6957
Similarity to MM385606
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.821 |
| Dice metric | 0.8205 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+335 more
