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DocumentationIdentifier: MM357839
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357839 |
| SMILES |
N#CCNC(=O)C=CC=O
|
| InChIKey |
KHQMAUDEJRSCBQ-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
-0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46453
Similarity: 0.8778
Similarity to MM46453
| Tanimoto metric | 0.8778 |
|---|---|
| Cosine metric | 0.9369 |
| Dice metric | 0.9349 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83789
Similarity: 0.767
Similarity to MM83789
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8682 |
| Dice metric | 0.8681 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83786
Similarity: 0.7524
Similarity to MM83786
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.8587 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+302 more
