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DocumentationIdentifier: MM290655
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290655 |
| SMILES |
CC=CCC#CC=C(C)F
|
| InChIKey |
DBZASFGSQUGUKX-UHFFFAOYSA-N
|
| MW [Da] |
138.19
Automatically obtained from RDkit software. |
| LogP |
2.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155108
Similarity: 0.942
Similarity to MM155108
| Tanimoto metric | 0.942 |
|---|---|
| Cosine metric | 0.9706 |
| Dice metric | 0.9701 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371822
Similarity: 0.8519
Similarity to MM371822
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290516
Similarity: 0.8158
Similarity to MM290516
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.8986 |
| Dice metric | 0.8986 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+696 more
