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DocumentationIdentifier: MM78198
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78198 |
| SMILES |
N#CC(C#N)(C#N)NC=O
|
| InChIKey |
RVDKXSFCKRHBOI-UHFFFAOYSA-N
|
| MW [Da] |
134.1
Automatically obtained from RDkit software. |
| LogP |
-0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42387
Similarity: 0.9481
Similarity to MM42387
| Tanimoto metric | 0.9481 |
|---|---|
| Cosine metric | 0.9737 |
| Dice metric | 0.9733 |
| MW: | 123.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28578
Similarity: 0.7662
Similarity to MM28578
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76721
Similarity: 0.6952
Similarity to MM76721
| Tanimoto metric | 0.6952 |
|---|---|
| Cosine metric | 0.8278 |
| Dice metric | 0.8202 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
