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DocumentationIdentifier: MM453213
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM453213 |
| SMILES |
C#CC=COC=CNC=O
|
| InChIKey |
XJQUWXGIWSLEAL-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215368
Similarity: 0.8169
Similarity to MM215368
| Tanimoto metric | 0.8169 |
|---|---|
| Cosine metric | 0.9038 |
| Dice metric | 0.8992 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452833
Similarity: 0.725
Similarity to MM452833
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8406 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452838
Similarity: 0.7195
Similarity to MM452838
| Tanimoto metric | 0.7195 |
|---|---|
| Cosine metric | 0.8369 |
| Dice metric | 0.8369 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+248 more
