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DocumentationIdentifier: MM62235
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62235 |
| SMILES |
C=COCC(C)(N)C(C)O
|
| InChIKey |
HYXNAZUMJJMQQZ-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM62695
Similarity: 0.7883
Similarity to MM62695
| Tanimoto metric | 0.7883 |
|---|---|
| Cosine metric | 0.8879 |
| Dice metric | 0.8816 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62242
Similarity: 0.7746
Similarity to MM62242
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.873 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243591
Similarity: 0.7415
Similarity to MM243591
| Tanimoto metric | 0.7415 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8516 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+165 more
