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DocumentationIdentifier: MM87846
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87846 |
| SMILES |
N#CCOC(C#N)CC=O
|
| InChIKey |
KKXKJRRQIHGXEJ-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177997
Similarity: 0.8947
Similarity to MM177997
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387197
Similarity: 0.7658
Similarity to MM387197
| Tanimoto metric | 0.7658 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8673 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155987
Similarity: 0.7579
Similarity to MM155987
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8623 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+105 more
