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DocumentationIdentifier: MM80172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80172 |
| SMILES |
C=CC(=O)NC(C#N)C#N
|
| InChIKey |
NIVODAVHDRBMRP-UHFFFAOYSA-N
|
| MW [Da] |
135.13
Automatically obtained from RDkit software. |
| LogP |
-0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43020
Similarity: 0.901
Similarity to MM43020
| Tanimoto metric | 0.901 |
|---|---|
| Cosine metric | 0.9492 |
| Dice metric | 0.9479 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264363
Similarity: 0.7521
Similarity to MM264363
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8594 |
| Dice metric | 0.8585 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44545
Similarity: 0.7426
Similarity to MM44545
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8617 |
| Dice metric | 0.8523 |
| MW: | 123.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
