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DocumentationIdentifier: MM132739
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132739 |
| SMILES |
CC(=O)C(C)(F)CC#N
|
| InChIKey |
IAWVJDDPQSRHFM-UHFFFAOYSA-N
|
| MW [Da] |
129.13
Automatically obtained from RDkit software. |
| LogP |
1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61505
Similarity: 0.7059
Similarity to MM61505
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8276 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58883
Similarity: 0.6815
Similarity to MM58883
| Tanimoto metric | 0.6815 |
|---|---|
| Cosine metric | 0.8255 |
| Dice metric | 0.8106 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233392
Similarity: 0.6772
Similarity to MM233392
| Tanimoto metric | 0.6772 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8075 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+113 more
