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DocumentationIdentifier: MM126800
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126800 |
| SMILES |
CC#CC=CC=CF
|
| InChIKey |
ZYBXMFGMKOTWJY-UHFFFAOYSA-N
|
| MW [Da] |
110.13
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215890
Similarity: 0.9362
Similarity to MM215890
| Tanimoto metric | 0.9362 |
|---|---|
| Cosine metric | 0.9676 |
| Dice metric | 0.967 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM455636
Similarity: 0.898
Similarity to MM455636
| Tanimoto metric | 0.898 |
|---|---|
| Cosine metric | 0.9476 |
| Dice metric | 0.9462 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215901
Similarity: 0.8148
Similarity to MM215901
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 120.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+741 more
