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DocumentationIdentifier: MM239021
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239021 |
| SMILES |
N#CC(C=O)C(F)(F)C=O
|
| InChIKey |
RPZWGBLBUNKPPM-UHFFFAOYSA-N
|
| MW [Da] |
147.08
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131399
Similarity: 0.7594
Similarity to MM131399
| Tanimoto metric | 0.7594 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15690
Similarity: 0.7068
Similarity to MM15690
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8407 |
| Dice metric | 0.8282 |
| MW: | 129.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239022
Similarity: 0.6708
Similarity to MM239022
| Tanimoto metric | 0.6708 |
|---|---|
| Cosine metric | 0.803 |
| Dice metric | 0.803 |
| MW: | 144.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+26 more
