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DocumentationIdentifier: MM65449
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65449 |
| SMILES |
C=C(C#N)NC(=O)C=CN
|
| InChIKey |
DHAACVWONFSVEQ-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142827
Similarity: 0.8095
Similarity to MM142827
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334449
Similarity: 0.7105
Similarity to MM334449
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8312 |
| Dice metric | 0.8308 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264563
Similarity: 0.6892
Similarity to MM264563
| Tanimoto metric | 0.6892 |
|---|---|
| Cosine metric | 0.816 |
| Dice metric | 0.816 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+280 more
