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DocumentationIdentifier: MM385084
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385084 |
| SMILES |
C=CC(C)=C(CN)OC=O
|
| InChIKey |
YQROFSXXXOBJIW-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM56527
Similarity: 0.7176
Similarity to MM56527
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.8356 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179052
Similarity: 0.687
Similarity to MM179052
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.8289 |
| Dice metric | 0.8145 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM423067
Similarity: 0.6584
Similarity to MM423067
| Tanimoto metric | 0.6584 |
|---|---|
| Cosine metric | 0.7941 |
| Dice metric | 0.794 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+91 more
