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DocumentationIdentifier: MM62242
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62242 |
| SMILES |
C=COCC(N)(CC)CO
|
| InChIKey |
IEMKLEDHIVAGDN-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM62235
Similarity: 0.7746
Similarity to MM62235
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.873 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138256
Similarity: 0.7652
Similarity to MM138256
| Tanimoto metric | 0.7652 |
|---|---|
| Cosine metric | 0.8748 |
| Dice metric | 0.867 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65175
Similarity: 0.7417
Similarity to MM65175
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8517 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+312 more
