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DocumentationIdentifier: MM351134
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351134 |
| SMILES |
C=CC(O)C(=C)C(N)CN
|
| InChIKey |
QVEOSUPZHUPZNX-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160758
Similarity: 0.7613
Similarity to MM160758
| Tanimoto metric | 0.7613 |
|---|---|
| Cosine metric | 0.8725 |
| Dice metric | 0.8645 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160861
Similarity: 0.7548
Similarity to MM160861
| Tanimoto metric | 0.7548 |
|---|---|
| Cosine metric | 0.8688 |
| Dice metric | 0.8603 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350967
Similarity: 0.674
Similarity to MM350967
| Tanimoto metric | 0.674 |
|---|---|
| Cosine metric | 0.8055 |
| Dice metric | 0.8053 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+141 more
