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DocumentationIdentifier: MM95116
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM95116 |
| SMILES |
C=CN(C=CC)C(=O)CO
|
| InChIKey |
TYOKPCRVHXAMEU-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM355865
Similarity: 0.75
Similarity to MM355865
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8571 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356175
Similarity: 0.7014
Similarity to MM356175
| Tanimoto metric | 0.7014 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8245 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305979
Similarity: 0.696
Similarity to MM305979
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8291 |
| Dice metric | 0.8208 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+410 more
