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DocumentationIdentifier: MM298382
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298382 |
| SMILES |
C#CCC(=C)CNC=O
|
| InChIKey |
FMOIZZXWLYKBSZ-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM262927
Similarity: 0.7685
Similarity to MM262927
| Tanimoto metric | 0.7685 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8691 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306514
Similarity: 0.7349
Similarity to MM306514
| Tanimoto metric | 0.7349 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8472 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251372
Similarity: 0.7345
Similarity to MM251372
| Tanimoto metric | 0.7345 |
|---|---|
| Cosine metric | 0.857 |
| Dice metric | 0.8469 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
