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DocumentationIdentifier: MM342130
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM342130 |
| SMILES |
CC(C)COC(C=O)=CN
|
| InChIKey |
IWTLDWNZTDINSA-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200113
Similarity: 0.8725
Similarity to MM200113
| Tanimoto metric | 0.8725 |
|---|---|
| Cosine metric | 0.9341 |
| Dice metric | 0.9319 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM414607
Similarity: 0.7965
Similarity to MM414607
| Tanimoto metric | 0.7965 |
|---|---|
| Cosine metric | 0.8867 |
| Dice metric | 0.8867 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413888
Similarity: 0.7607
Similarity to MM413888
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.8641 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+220 more
