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DocumentationIdentifier: MM348746
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348746 |
| SMILES |
C#CC(C)C(N)COC=O
|
| InChIKey |
YSTQNMNSLJZIKG-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172260
Similarity: 0.8053
Similarity to MM172260
| Tanimoto metric | 0.8053 |
|---|---|
| Cosine metric | 0.8974 |
| Dice metric | 0.8922 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63121
Similarity: 0.7345
Similarity to MM63121
| Tanimoto metric | 0.7345 |
|---|---|
| Cosine metric | 0.857 |
| Dice metric | 0.8469 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348699
Similarity: 0.7109
Similarity to MM348699
| Tanimoto metric | 0.7109 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8311 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+386 more
