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DocumentationIdentifier: MM83788
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83788 |
| SMILES |
N#CC=CC(=O)NCC=O
|
| InChIKey |
UOEYUKRSMFYOAA-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
MM157980
Similarity: 0.8316
Similarity to MM157980
| Tanimoto metric | 0.8316 |
|---|---|
| Cosine metric | 0.9119 |
| Dice metric | 0.908 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357837
Similarity: 0.7524
Similarity to MM357837
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8587 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83789
Similarity: 0.7315
Similarity to MM83789
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.845 |
| Dice metric | 0.8449 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+308 more
