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DocumentationIdentifier: MM270014
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM270014 |
| SMILES |
C=CC(O)C(N)C=C(C)C
|
| InChIKey |
FYFWMDNHFIZVIJ-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 |
Similar entries
MM174039
Similarity: 0.8264
Similarity to MM174039
| Tanimoto metric | 0.8264 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.905 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59479
Similarity: 0.7769
Similarity to MM59479
| Tanimoto metric | 0.7769 |
|---|---|
| Cosine metric | 0.8814 |
| Dice metric | 0.8744 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56346
Similarity: 0.6849
Similarity to MM56346
| Tanimoto metric | 0.6849 |
|---|---|
| Cosine metric | 0.8131 |
| Dice metric | 0.813 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+315 more
