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DocumentationIdentifier: MM77149
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77149 |
| SMILES |
CCC(C)(CO)OCC#N
|
| InChIKey |
XTTZRRRMMNTPGJ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM59299
Similarity: 0.7377
Similarity to MM59299
| Tanimoto metric | 0.7377 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.8491 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77116
Similarity: 0.7155
Similarity to MM77116
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.835 |
| Dice metric | 0.8342 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308289
Similarity: 0.7025
Similarity to MM308289
| Tanimoto metric | 0.7025 |
|---|---|
| Cosine metric | 0.8253 |
| Dice metric | 0.8252 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+540 more
