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DocumentationIdentifier: MM292719
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292719 |
| SMILES |
N#CCC(O)C(O)CC#N
|
| InChIKey |
CPUHURSMKZWWJA-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
MM171932
Similarity: 0.971
Similarity to MM171932
| Tanimoto metric | 0.971 |
|---|---|
| Cosine metric | 0.9854 |
| Dice metric | 0.9853 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108106
Similarity: 0.8406
Similarity to MM108106
| Tanimoto metric | 0.8406 |
|---|---|
| Cosine metric | 0.9168 |
| Dice metric | 0.9134 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45771
Similarity: 0.7681
Similarity to MM45771
| Tanimoto metric | 0.7681 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8689 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+368 more
