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DocumentationIdentifier: MM25158
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM25158 |
| SMILES |
N#CCOC=O
|
| InChIKey |
ZFLAEHBSVFWEHW-UHFFFAOYSA-N
|
| MW [Da] |
85.06
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97446
Similarity: 0.6829
Similarity to MM97446
| Tanimoto metric | 0.6829 |
|---|---|
| Cosine metric | 0.8264 |
| Dice metric | 0.8116 |
| MW: | 99.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26284
Similarity: 0.6512
Similarity to MM26284
| Tanimoto metric | 0.6512 |
|---|---|
| Cosine metric | 0.8069 |
| Dice metric | 0.7887 |
| MW: | 99.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37709
Similarity: 0.549
Similarity to MM37709
| Tanimoto metric | 0.549 |
|---|---|
| Cosine metric | 0.741 |
| Dice metric | 0.7089 |
| MW: | 110.07 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+22 more
