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DocumentationIdentifier: MM59883
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59883 |
| SMILES |
CC=CC(N)C(C)O
|
| InChIKey |
DIPOYAICUXAMIO-UHFFFAOYSA-N
|
| MW [Da] |
115.18
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163121
Similarity: 0.8132
Similarity to MM163121
| Tanimoto metric | 0.8132 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.897 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59484
Similarity: 0.7957
Similarity to MM59484
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59479
Similarity: 0.7872
Similarity to MM59479
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.881 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+712 more
