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DocumentationIdentifier: MM281344
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281344 |
| SMILES |
CC#CC(F)CC#CC#N
|
| InChIKey |
JHBBDOSMQXPNJW-UHFFFAOYSA-N
|
| MW [Da] |
135.14
Automatically obtained from RDkit software. |
| LogP |
1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169201
Similarity: 0.8947
Similarity to MM169201
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 121.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359247
Similarity: 0.878
Similarity to MM359247
| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.9351 |
| Dice metric | 0.9351 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158460
Similarity: 0.8049
Similarity to MM158460
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8922 |
| Dice metric | 0.8919 |
| MW: | 121.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+453 more
