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DocumentationIdentifier: MM64010
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64010 |
| SMILES |
CNCC=CC(=O)CCF
|
| InChIKey |
IMISJISLEKVRPR-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67914
Similarity: 0.7684
Similarity to MM67914
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8766 |
| Dice metric | 0.869 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281862
Similarity: 0.6916
Similarity to MM281862
| Tanimoto metric | 0.6916 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8177 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293159
Similarity: 0.6789
Similarity to MM293159
| Tanimoto metric | 0.6789 |
|---|---|
| Cosine metric | 0.8093 |
| Dice metric | 0.8087 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+491 more
