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DocumentationIdentifier: MM262670
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262670 |
| SMILES |
N#CC(F)CC(=O)CCO
|
| InChIKey |
JZBSXKCTWIPTHO-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142230
Similarity: 0.7627
Similarity to MM142230
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41063
Similarity: 0.7119
Similarity to MM41063
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.8317 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262669
Similarity: 0.7031
Similarity to MM262669
| Tanimoto metric | 0.7031 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8257 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+97 more
