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DocumentationIdentifier: MM311683
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM311683 |
| SMILES |
NCC#CC(F)(CO)CF
|
| InChIKey |
LMTGFVULEJCEJY-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46588
Similarity: 0.6788
Similarity to MM46588
| Tanimoto metric | 0.6788 |
|---|---|
| Cosine metric | 0.8239 |
| Dice metric | 0.8087 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM311759
Similarity: 0.6524
Similarity to MM311759
| Tanimoto metric | 0.6524 |
|---|---|
| Cosine metric | 0.7897 |
| Dice metric | 0.7897 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77770
Similarity: 0.6407
Similarity to MM77770
| Tanimoto metric | 0.6407 |
|---|---|
| Cosine metric | 0.781 |
| Dice metric | 0.781 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
