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DocumentationIdentifier: MM383442
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383442 |
| SMILES |
C=CC(=CC#N)OC=CF
|
| InChIKey |
VHTJFDBCNYGQDS-UHFFFAOYSA-N
|
| MW [Da] |
139.13
Automatically obtained from RDkit software. |
| LogP |
2.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200419
Similarity: 0.7545
Similarity to MM200419
| Tanimoto metric | 0.7545 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8601 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383440
Similarity: 0.7236
Similarity to MM383440
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8396 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159124
Similarity: 0.7182
Similarity to MM159124
| Tanimoto metric | 0.7182 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.836 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
