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DocumentationIdentifier: MM293511
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293511 |
| SMILES |
C=C(CC#N)C(C)NC=O
|
| InChIKey |
UMWSGNXQUCEVQZ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305077
Similarity: 0.7656
Similarity to MM305077
| Tanimoto metric | 0.7656 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8673 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46045
Similarity: 0.6484
Similarity to MM46045
| Tanimoto metric | 0.6484 |
|---|---|
| Cosine metric | 0.8053 |
| Dice metric | 0.7867 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284791
Similarity: 0.6164
Similarity to MM284791
| Tanimoto metric | 0.6164 |
|---|---|
| Cosine metric | 0.7627 |
| Dice metric | 0.7626 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
