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DocumentationIdentifier: MM264540
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264540 |
| SMILES |
C=CC(=C)CC(=O)C=CN
|
| InChIKey |
DOOHDFXVUWTQEZ-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41288
Similarity: 0.7944
Similarity to MM41288
| Tanimoto metric | 0.7944 |
|---|---|
| Cosine metric | 0.8913 |
| Dice metric | 0.8854 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142820
Similarity: 0.757
Similarity to MM142820
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8617 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304606
Similarity: 0.6693
Similarity to MM304606
| Tanimoto metric | 0.6693 |
|---|---|
| Cosine metric | 0.8019 |
| Dice metric | 0.8019 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+204 more
