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DocumentationIdentifier: MM252393
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252393 |
| SMILES |
CC=CC(O)C=CC(C)N
|
| InChIKey |
MUVDKBRXCWTJGB-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM67184
Similarity: 0.9059
Similarity to MM67184
| Tanimoto metric | 0.9059 |
|---|---|
| Cosine metric | 0.9518 |
| Dice metric | 0.9506 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51738
Similarity: 0.7778
Similarity to MM51738
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8755 |
| Dice metric | 0.875 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM321105
Similarity: 0.7196
Similarity to MM321105
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8394 |
| Dice metric | 0.837 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+405 more
