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DocumentationIdentifier: MM280733
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280733 |
| SMILES |
C=CC=CCC(=O)C=CN
|
| InChIKey |
GMPFLSVFKHUWHL-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
MM157419
Similarity: 0.8554
Similarity to MM157419
| Tanimoto metric | 0.8554 |
|---|---|
| Cosine metric | 0.9249 |
| Dice metric | 0.9221 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168813
Similarity: 0.759
Similarity to MM168813
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253360
Similarity: 0.732
Similarity to MM253360
| Tanimoto metric | 0.732 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.8452 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+503 more
