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DocumentationIdentifier: MM290457
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290457 |
| SMILES |
CC(C)=CN=CNCC=O
|
| InChIKey |
ADJGAFYVPCZTHJ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215355
Similarity: 0.8472
Similarity to MM215355
| Tanimoto metric | 0.8472 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9173 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM453052
Similarity: 0.7439
Similarity to MM453052
| Tanimoto metric | 0.7439 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8531 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290456
Similarity: 0.716
Similarity to MM290456
| Tanimoto metric | 0.716 |
|---|---|
| Cosine metric | 0.8351 |
| Dice metric | 0.8345 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+99 more
