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DocumentationIdentifier: MM232648
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232648 |
| SMILES |
CC(C)(C)OC=CNC=O
|
| InChIKey |
CLSIFZUFUAVHCI-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153603
Similarity: 0.8592
Similarity to MM153603
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232647
Similarity: 0.7024
Similarity to MM232647
| Tanimoto metric | 0.7024 |
|---|---|
| Cosine metric | 0.8252 |
| Dice metric | 0.8252 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM372916
Similarity: 0.6703
Similarity to MM372916
| Tanimoto metric | 0.6703 |
|---|---|
| Cosine metric | 0.8044 |
| Dice metric | 0.8026 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
