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DocumentationIdentifier: MM135485
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135485 |
| SMILES |
N=C(N)CC(=O)CCF
|
| InChIKey |
IALBLDHKYRSVTK-UHFFFAOYSA-N
|
| MW [Da] |
132.14
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM263045
Similarity: 0.748
Similarity to MM263045
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8558 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269276
Similarity: 0.7188
Similarity to MM269276
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8364 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223284
Similarity: 0.6765
Similarity to MM223284
| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.8225 |
| Dice metric | 0.807 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
