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DocumentationIdentifier: MM56346
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM56346 |
| SMILES |
C#CC=CC(N)C(O)C=C
|
| InChIKey |
NBMWQRDDPCFCMM-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174039
Similarity: 0.8
Similarity to MM174039
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59081
Similarity: 0.784
Similarity to MM59081
| Tanimoto metric | 0.784 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8789 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM270014
Similarity: 0.6849
Similarity to MM270014
| Tanimoto metric | 0.6849 |
|---|---|
| Cosine metric | 0.8131 |
| Dice metric | 0.813 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+75 more
