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DocumentationIdentifier: MM304149
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304149 |
| SMILES |
CC(C=O)=C(C)C(N)=O
|
| InChIKey |
KELOXMAKRXJGPN-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM292281
Similarity: 0.8958
Similarity to MM292281
| Tanimoto metric | 0.8958 |
|---|---|
| Cosine metric | 0.9465 |
| Dice metric | 0.9451 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298573
Similarity: 0.7907
Similarity to MM298573
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8831 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161782
Similarity: 0.7653
Similarity to MM161782
| Tanimoto metric | 0.7653 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8671 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+457 more
