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DocumentationIdentifier: MM294289
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294289 |
| SMILES |
CC=CC(O)C(N)COC
|
| InChIKey |
KJAPFKRXKWJEAQ-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173957
Similarity: 0.7857
Similarity to MM173957
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355097
Similarity: 0.6972
Similarity to MM355097
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8224 |
| Dice metric | 0.8216 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53557
Similarity: 0.6944
Similarity to MM53557
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8201 |
| Dice metric | 0.8197 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+237 more
