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DocumentationIdentifier: MM234415
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234415 |
| SMILES |
N#CCC(F)(F)C#CCO
|
| InChIKey |
BAYNUFBLGXZXCG-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139007
Similarity: 0.7522
Similarity to MM139007
| Tanimoto metric | 0.7522 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59199
Similarity: 0.72
Similarity to MM59199
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8372 |
| MW: | 140.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46903
Similarity: 0.7168
Similarity to MM46903
| Tanimoto metric | 0.7168 |
|---|---|
| Cosine metric | 0.8466 |
| Dice metric | 0.8351 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
