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DocumentationIdentifier: MM329817
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329817 |
| SMILES |
C=CC(=C)CN(C=O)CC
|
| InChIKey |
IRRJPHFZTOORQA-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM245872
Similarity: 0.7941
Similarity to MM245872
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8852 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142404
Similarity: 0.7544
Similarity to MM142404
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.86 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150071
Similarity: 0.7456
Similarity to MM150071
| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8543 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
