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DocumentationIdentifier: MM216042
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216042 |
| SMILES |
CCNCC#CC=CF
|
| InChIKey |
VOLUBAUQWBNBNJ-UHFFFAOYSA-N
|
| MW [Da] |
127.16
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126835
Similarity: 0.8596
Similarity to MM126835
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 113.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126405
Similarity: 0.7544
Similarity to MM126405
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.86 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155102
Similarity: 0.7101
Similarity to MM155102
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.831 |
| Dice metric | 0.8305 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+612 more
