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DocumentationIdentifier: MM46573
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46573 |
| SMILES |
NCC#CC(F)C(O)CF
|
| InChIKey |
RIQOBBBLLBMQBK-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
MM46599
Similarity: 0.784
Similarity to MM46599
| Tanimoto metric | 0.784 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8789 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357548
Similarity: 0.7372
Similarity to MM357548
| Tanimoto metric | 0.7372 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8487 |
| MW: | 152.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357544
Similarity: 0.7092
Similarity to MM357544
| Tanimoto metric | 0.7092 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8299 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
