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DocumentationIdentifier: MM363281
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363281 |
| SMILES |
N#CCOCCC(O)CF
|
| InChIKey |
BSQFWHHWTWANTA-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM362909
Similarity: 0.7444
Similarity to MM362909
| Tanimoto metric | 0.7444 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8535 |
| MW: | 152.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362911
Similarity: 0.7416
Similarity to MM362911
| Tanimoto metric | 0.7416 |
|---|---|
| Cosine metric | 0.8531 |
| Dice metric | 0.8516 |
| MW: | 154.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44932
Similarity: 0.7317
Similarity to MM44932
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8451 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+512 more
