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DocumentationIdentifier: MM42387
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42387 |
| SMILES |
CC(C#N)(C#N)NC=O
|
| InChIKey |
MVYVLVQVSDEFSS-UHFFFAOYSA-N
|
| MW [Da] |
123.12
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78198
Similarity: 0.9481
Similarity to MM78198
| Tanimoto metric | 0.9481 |
|---|---|
| Cosine metric | 0.9737 |
| Dice metric | 0.9733 |
| MW: | 134.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28578
Similarity: 0.8082
Similarity to MM28578
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.8939 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76721
Similarity: 0.7228
Similarity to MM76721
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8391 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+98 more
