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DocumentationIdentifier: MM253432
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253432 |
| SMILES |
CC(=CC#N)OC=C(F)F
|
| InChIKey |
DQQWWXUERXLEBR-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
2.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159124
Similarity: 0.8495
Similarity to MM159124
| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9217 |
| Dice metric | 0.9186 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146525
Similarity: 0.7742
Similarity to MM146525
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383454
Similarity: 0.6583
Similarity to MM383454
| Tanimoto metric | 0.6583 |
|---|---|
| Cosine metric | 0.7957 |
| Dice metric | 0.794 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
