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DocumentationIdentifier: MM306270
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306270 |
| SMILES |
CCC=C(CCN)C(N)=O
|
| InChIKey |
KEQKXUSOAYGDCD-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180388
Similarity: 0.8346
Similarity to MM180388
| Tanimoto metric | 0.8346 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9099 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76762
Similarity: 0.7842
Similarity to MM76762
| Tanimoto metric | 0.7842 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.879 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297282
Similarity: 0.7569
Similarity to MM297282
| Tanimoto metric | 0.7569 |
|---|---|
| Cosine metric | 0.8617 |
| Dice metric | 0.8617 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+339 more
