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DocumentationIdentifier: MM408780
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM408780 |
| SMILES |
N#CCN(C=O)CC(=O)O
|
| InChIKey |
CAAJZHUVEMYPFO-UHFFFAOYSA-N
|
| MW [Da] |
142.11
Automatically obtained from RDkit software. |
| LogP |
-0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM300575
Similarity: 0.7436
Similarity to MM300575
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316097
Similarity: 0.6905
Similarity to MM316097
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8209 |
| Dice metric | 0.8169 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23925
Similarity: 0.6096
Similarity to MM23925
| Tanimoto metric | 0.6096 |
|---|---|
| Cosine metric | 0.7575 |
| Dice metric | 0.7574 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+36 more
