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DocumentationIdentifier: MM334379
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334379 |
| SMILES |
N#CC(=CN)OC(=O)CO
|
| InChIKey |
BLGUIODJHKMAEI-UHFFFAOYSA-N
|
| MW [Da] |
142.11
Automatically obtained from RDkit software. |
| LogP |
-1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44731
Similarity: 0.7643
Similarity to MM44731
| Tanimoto metric | 0.7643 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8664 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142770
Similarity: 0.7214
Similarity to MM142770
| Tanimoto metric | 0.7214 |
|---|---|
| Cosine metric | 0.8494 |
| Dice metric | 0.8382 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM276311
Similarity: 0.6467
Similarity to MM276311
| Tanimoto metric | 0.6467 |
|---|---|
| Cosine metric | 0.7856 |
| Dice metric | 0.7855 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+53 more
