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DocumentationIdentifier: MM298364
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298364 |
| SMILES |
C=CC(NC)C(=C)C(C)O
|
| InChIKey |
SWMUEENTDSKNEX-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM62079
Similarity: 0.7622
Similarity to MM62079
| Tanimoto metric | 0.7622 |
|---|---|
| Cosine metric | 0.873 |
| Dice metric | 0.8651 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160857
Similarity: 0.7134
Similarity to MM160857
| Tanimoto metric | 0.7134 |
|---|---|
| Cosine metric | 0.8446 |
| Dice metric | 0.8327 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44724
Similarity: 0.6341
Similarity to MM44724
| Tanimoto metric | 0.6341 |
|---|---|
| Cosine metric | 0.7963 |
| Dice metric | 0.7761 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+225 more
