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DocumentationIdentifier: MM53241
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53241 |
| SMILES |
N#CC(O)C(C#N)CO
|
| InChIKey |
VORZPFSSFFDJDM-UHFFFAOYSA-N
|
| MW [Da] |
126.12
Automatically obtained from RDkit software. |
| LogP |
-1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388215
Similarity: 0.7589
Similarity to MM388215
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.8629 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116947
Similarity: 0.7294
Similarity to MM116947
| Tanimoto metric | 0.7294 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8435 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94183
Similarity: 0.7265
Similarity to MM94183
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8523 |
| Dice metric | 0.8416 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
