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DocumentationIdentifier: MM231274
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231274 |
| SMILES |
C=CCCC(N)C(C)(C)O
|
| InChIKey |
XDNWNPAFNUWJDN-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131986
Similarity: 0.7826
Similarity to MM131986
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77085
Similarity: 0.7304
Similarity to MM77085
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8442 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM221483
Similarity: 0.7031
Similarity to MM221483
| Tanimoto metric | 0.7031 |
|---|---|
| Cosine metric | 0.8269 |
| Dice metric | 0.8257 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+427 more
