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DocumentationIdentifier: MM387331
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387331 |
| SMILES |
N#CC(COC=O)NC=O
|
| InChIKey |
IPYPITDIKQYPDR-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
MM51281
Similarity: 0.8198
Similarity to MM51281
| Tanimoto metric | 0.8198 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.901 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87770
Similarity: 0.7109
Similarity to MM87770
| Tanimoto metric | 0.7109 |
|---|---|
| Cosine metric | 0.8311 |
| Dice metric | 0.8311 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87831
Similarity: 0.6894
Similarity to MM87831
| Tanimoto metric | 0.6894 |
|---|---|
| Cosine metric | 0.8162 |
| Dice metric | 0.8161 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
