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DocumentationIdentifier: MM232023
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232023 |
| SMILES |
CCOC(C#N)C(C)(F)F
|
| InChIKey |
ANVRARBGVYSSBQ-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM232050
Similarity: 0.648
Similarity to MM232050
| Tanimoto metric | 0.648 |
|---|---|
| Cosine metric | 0.7866 |
| Dice metric | 0.7864 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94136
Similarity: 0.6034
Similarity to MM94136
| Tanimoto metric | 0.6034 |
|---|---|
| Cosine metric | 0.7527 |
| Dice metric | 0.7526 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179717
Similarity: 0.6
Similarity to MM179717
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.7746 |
| Dice metric | 0.75 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
