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DocumentationIdentifier: MM280715
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280715 |
| SMILES |
CCC=COC(=O)C=CN
|
| InChIKey |
TUBWSZUHLLPYMH-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157450
Similarity: 0.8438
Similarity to MM157450
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70532
Similarity: 0.783
Similarity to MM70532
| Tanimoto metric | 0.783 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.8783 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280716
Similarity: 0.75
Similarity to MM280716
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8571 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+418 more
