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DocumentationIdentifier: MM61405
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61405 |
| SMILES |
N#CCC(F)(CF)CC#N
|
| InChIKey |
YDFKGWGZIHVLSD-UHFFFAOYSA-N
|
| MW [Da] |
144.12
Automatically obtained from RDkit software. |
| LogP |
1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40389
Similarity: 0.6703
Similarity to MM40389
| Tanimoto metric | 0.6703 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8026 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61402
Similarity: 0.6289
Similarity to MM61402
| Tanimoto metric | 0.6289 |
|---|---|
| Cosine metric | 0.7812 |
| Dice metric | 0.7722 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103000
Similarity: 0.6044
Similarity to MM103000
| Tanimoto metric | 0.6044 |
|---|---|
| Cosine metric | 0.7774 |
| Dice metric | 0.7534 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+71 more
