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DocumentationIdentifier: MM78204
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78204 |
| SMILES |
N#CC(C#N)(C#N)OC=O
|
| InChIKey |
OKKNZUFLOUJTCP-UHFFFAOYSA-N
|
| MW [Da] |
135.08
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42392
Similarity: 0.9481
Similarity to MM42392
| Tanimoto metric | 0.9481 |
|---|---|
| Cosine metric | 0.9737 |
| Dice metric | 0.9733 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103097
Similarity: 0.7662
Similarity to MM103097
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58366
Similarity: 0.7019
Similarity to MM58366
| Tanimoto metric | 0.7019 |
|---|---|
| Cosine metric | 0.8319 |
| Dice metric | 0.8249 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+33 more
