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DocumentationIdentifier: MM457663
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM457663 |
| SMILES |
N#CC#CC=COCCO
|
| InChIKey |
YOFDSNLMZRHZQK-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215831
Similarity: 0.8714
Similarity to MM215831
| Tanimoto metric | 0.8714 |
|---|---|
| Cosine metric | 0.9335 |
| Dice metric | 0.9313 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215238
Similarity: 0.8143
Similarity to MM215238
| Tanimoto metric | 0.8143 |
|---|---|
| Cosine metric | 0.9024 |
| Dice metric | 0.8976 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM457819
Similarity: 0.7625
Similarity to MM457819
| Tanimoto metric | 0.7625 |
|---|---|
| Cosine metric | 0.8653 |
| Dice metric | 0.8652 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+566 more
