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DocumentationIdentifier: MM236071
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236071 |
| SMILES |
C=C(C)OCC#CC(=N)N
|
| InChIKey |
LHYFQTJJCWATPW-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM83908
Similarity: 0.7789
Similarity to MM83908
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8757 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289922
Similarity: 0.7143
Similarity to MM289922
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8346 |
| Dice metric | 0.8333 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153477
Similarity: 0.7053
Similarity to MM153477
| Tanimoto metric | 0.7053 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.8272 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
