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DocumentationIdentifier: MM402675
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402675 |
| SMILES |
C=COCCN(CC)CC
|
| InChIKey |
PLWQJHWLGRXAMP-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165860
Similarity: 0.9385
Similarity to MM165860
| Tanimoto metric | 0.9385 |
|---|---|
| Cosine metric | 0.9687 |
| Dice metric | 0.9683 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40867
Similarity: 0.8592
Similarity to MM40867
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9243 |
| Dice metric | 0.9242 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198625
Similarity: 0.7692
Similarity to MM198625
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+335 more
