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DocumentationIdentifier: MM232016
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232016 |
| SMILES |
COCC(C#N)C(C)(F)F
|
| InChIKey |
GKVOSYLTRJIBDE-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
1.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179710
Similarity: 0.6165
Similarity to MM179710
| Tanimoto metric | 0.6165 |
|---|---|
| Cosine metric | 0.7852 |
| Dice metric | 0.7628 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376473
Similarity: 0.6
Similarity to MM376473
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.75 |
| Dice metric | 0.75 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232015
Similarity: 0.5976
Similarity to MM232015
| Tanimoto metric | 0.5976 |
|---|---|
| Cosine metric | 0.7482 |
| Dice metric | 0.7481 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+89 more
