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DocumentationIdentifier: MM428602
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM428602 |
| SMILES |
NC(N)=CC(=O)CCF
|
| InChIKey |
CYKTVTHUIBGLTQ-UHFFFAOYSA-N
|
| MW [Da] |
132.14
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM384469
Similarity: 0.8384
Similarity to MM384469
| Tanimoto metric | 0.8384 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.9121 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107599
Similarity: 0.7831
Similarity to MM107599
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM453022
Similarity: 0.7477
Similarity to MM453022
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8557 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+648 more
