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DocumentationIdentifier: MM61401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61401 |
| SMILES |
N#CCC(O)(CO)CC#N
|
| InChIKey |
JAMNDEBLJSYLOG-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42169
Similarity: 0.9333
Similarity to MM42169
| Tanimoto metric | 0.9333 |
|---|---|
| Cosine metric | 0.9661 |
| Dice metric | 0.9655 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40461
Similarity: 0.7182
Similarity to MM40461
| Tanimoto metric | 0.7182 |
|---|---|
| Cosine metric | 0.8369 |
| Dice metric | 0.836 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61332
Similarity: 0.7119
Similarity to MM61332
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8317 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+251 more
