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DocumentationIdentifier: MM23905
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23905 |
| SMILES |
C=C(CC)C(=O)C=C(N)N
|
| InChIKey |
DPKSVULJLWAQLQ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM134187
Similarity: 0.7692
Similarity to MM134187
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295100
Similarity: 0.7068
Similarity to MM295100
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8286 |
| Dice metric | 0.8282 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295106
Similarity: 0.6835
Similarity to MM295106
| Tanimoto metric | 0.6835 |
|---|---|
| Cosine metric | 0.812 |
| Dice metric | 0.812 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+242 more
