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DocumentationIdentifier: MM402989
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402989 |
| SMILES |
N#CC(CO)COCCO
|
| InChIKey |
UMLFBRYLIZIQGL-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198836
Similarity: 0.8767
Similarity to MM198836
| Tanimoto metric | 0.8767 |
|---|---|
| Cosine metric | 0.9363 |
| Dice metric | 0.9343 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386745
Similarity: 0.8101
Similarity to MM386745
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8951 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48505
Similarity: 0.8082
Similarity to MM48505
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.8939 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+468 more
