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DocumentationIdentifier: MM83300
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83300 |
| SMILES |
N#CCOC(=O)CNC=O
|
| InChIKey |
SAHHDTAZFMXHAR-UHFFFAOYSA-N
|
| MW [Da] |
142.11
Automatically obtained from RDkit software. |
| LogP |
-1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78622
Similarity: 0.6917
Similarity to MM78622
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.8178 |
| Dice metric | 0.8177 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262766
Similarity: 0.6587
Similarity to MM262766
| Tanimoto metric | 0.6587 |
|---|---|
| Cosine metric | 0.795 |
| Dice metric | 0.7943 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113178
Similarity: 0.65
Similarity to MM113178
| Tanimoto metric | 0.65 |
|---|---|
| Cosine metric | 0.8062 |
| Dice metric | 0.7879 |
| MW: | 117.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+76 more
