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DocumentationIdentifier: MM63884
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63884 |
| SMILES |
C#CC(CNC)OCC=C
|
| InChIKey |
TZFDRABBBJVWDZ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM62068
Similarity: 0.7593
Similarity to MM62068
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63885
Similarity: 0.7333
Similarity to MM63885
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8468 |
| Dice metric | 0.8462 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272184
Similarity: 0.6929
Similarity to MM272184
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8186 |
| Dice metric | 0.8186 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+312 more
