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DocumentationIdentifier: MM61163
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61163 |
| SMILES |
C#CCC(=O)C(C)N=CN
|
| InChIKey |
FEONPNNMNWANSI-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61418
Similarity: 0.6275
Similarity to MM61418
| Tanimoto metric | 0.6275 |
|---|---|
| Cosine metric | 0.7711 |
| Dice metric | 0.7711 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61658
Similarity: 0.609
Similarity to MM61658
| Tanimoto metric | 0.609 |
|---|---|
| Cosine metric | 0.757 |
| Dice metric | 0.757 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61828
Similarity: 0.592
Similarity to MM61828
| Tanimoto metric | 0.592 |
|---|---|
| Cosine metric | 0.7694 |
| Dice metric | 0.7437 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+17 more
