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DocumentationIdentifier: MM54869
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54869 |
| SMILES |
C#CC(C#C)(CN)OC=O
|
| InChIKey |
NJEDOYAGIPBFDS-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM59775
Similarity: 0.8509
Similarity to MM59775
| Tanimoto metric | 0.8509 |
|---|---|
| Cosine metric | 0.9224 |
| Dice metric | 0.9194 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60610
Similarity: 0.6599
Similarity to MM60610
| Tanimoto metric | 0.6599 |
|---|---|
| Cosine metric | 0.7968 |
| Dice metric | 0.7951 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139636
Similarity: 0.6316
Similarity to MM139636
| Tanimoto metric | 0.6316 |
|---|---|
| Cosine metric | 0.7947 |
| Dice metric | 0.7742 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+115 more
