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DocumentationIdentifier: MM159695
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159695 |
| SMILES |
CC(=CC=CF)CC#N
|
| InChIKey |
WEQQLLGLTPHXHV-UHFFFAOYSA-N
|
| MW [Da] |
125.15
Automatically obtained from RDkit software. |
| LogP |
2.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM253722
Similarity: 0.8471
Similarity to MM253722
| Tanimoto metric | 0.8471 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9172 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253720
Similarity: 0.7579
Similarity to MM253720
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8623 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34278
Similarity: 0.75
Similarity to MM34278
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+435 more
