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DocumentationIdentifier: MM229835
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229835 |
| SMILES |
C#CC(F)(CO)C(C)(C)F
|
| InChIKey |
ZSIHTDBFBAGHRY-UHFFFAOYSA-N
|
| MW [Da] |
148.15
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42577
Similarity: 0.8247
Similarity to MM42577
| Tanimoto metric | 0.8247 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.9039 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320075
Similarity: 0.6457
Similarity to MM320075
| Tanimoto metric | 0.6457 |
|---|---|
| Cosine metric | 0.7866 |
| Dice metric | 0.7847 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41519
Similarity: 0.6402
Similarity to MM41519
| Tanimoto metric | 0.6402 |
|---|---|
| Cosine metric | 0.789 |
| Dice metric | 0.7807 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
