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DocumentationIdentifier: MM160861
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160861 |
| SMILES |
C=CC(O)C(=C)C(C)N
|
| InChIKey |
NBBNNUPNAWJIJY-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351132
Similarity: 0.7748
Similarity to MM351132
| Tanimoto metric | 0.7748 |
|---|---|
| Cosine metric | 0.8802 |
| Dice metric | 0.8731 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299578
Similarity: 0.7597
Similarity to MM299578
| Tanimoto metric | 0.7597 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8635 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351134
Similarity: 0.7548
Similarity to MM351134
| Tanimoto metric | 0.7548 |
|---|---|
| Cosine metric | 0.8688 |
| Dice metric | 0.8603 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+292 more
