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DocumentationIdentifier: MM313544
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313544 |
| SMILES |
CC(O)C(C#N)(C#N)CO
|
| InChIKey |
AIZPFZUDRZQZEI-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42581
Similarity: 0.7327
Similarity to MM42581
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8457 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313538
Similarity: 0.7119
Similarity to MM313538
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8317 |
| Dice metric | 0.8317 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76622
Similarity: 0.6617
Similarity to MM76622
| Tanimoto metric | 0.6617 |
|---|---|
| Cosine metric | 0.7993 |
| Dice metric | 0.7964 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+325 more
