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DocumentationIdentifier: MM403457
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403457 |
| SMILES |
N#CCOCC(C#N)CO
|
| InChIKey |
KUPWPOLIPHEKBT-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.34
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: 0.8533
Similarity to MM198836
| Tanimoto metric | 0.8533 |
|---|---|
| Cosine metric | 0.9238 |
| Dice metric | 0.9209 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402989
Similarity: 0.8049
Similarity to MM402989
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8919 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386745
Similarity: 0.7901
Similarity to MM386745
| Tanimoto metric | 0.7901 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8828 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+338 more
