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DocumentationIdentifier: MM289211
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289211 |
| SMILES |
CC(C#N)(C#N)NCCO
|
| InChIKey |
UANKSWRGDQGFBE-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47341
Similarity: 0.8353
Similarity to MM47341
| Tanimoto metric | 0.8353 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9103 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM27940
Similarity: 0.7882
Similarity to MM27940
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8816 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28072
Similarity: 0.7473
Similarity to MM28072
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8574 |
| Dice metric | 0.8553 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
