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DocumentationIdentifier: MM363477
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363477 |
| SMILES |
N#CC(O)C=COCCO
|
| InChIKey |
NQPZUMVUJNBNRR-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM49481
Similarity: 0.8916
Similarity to MM49481
| Tanimoto metric | 0.8916 |
|---|---|
| Cosine metric | 0.9442 |
| Dice metric | 0.9427 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363473
Similarity: 0.8352
Similarity to MM363473
| Tanimoto metric | 0.8352 |
|---|---|
| Cosine metric | 0.9102 |
| Dice metric | 0.9102 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92920
Similarity: 0.8132
Similarity to MM92920
| Tanimoto metric | 0.8132 |
|---|---|
| Cosine metric | 0.897 |
| Dice metric | 0.897 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+578 more
