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DocumentationIdentifier: MM244258
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244258 |
| SMILES |
C#CC(F)(C#CC)C(C)O
|
| InChIKey |
KYZVTZXCNQXZAQ-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132855
Similarity: 0.8322
Similarity to MM132855
| Tanimoto metric | 0.8322 |
|---|---|
| Cosine metric | 0.9122 |
| Dice metric | 0.9084 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235528
Similarity: 0.7169
Similarity to MM235528
| Tanimoto metric | 0.7169 |
|---|---|
| Cosine metric | 0.8351 |
| Dice metric | 0.8351 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139965
Similarity: 0.7133
Similarity to MM139965
| Tanimoto metric | 0.7133 |
|---|---|
| Cosine metric | 0.8446 |
| Dice metric | 0.8327 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+256 more
