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DocumentationIdentifier: MM263500
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263500 |
| SMILES |
C=C(CC#N)OC(=O)CC
|
| InChIKey |
ZHPBPSMLXXDWKK-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142666
Similarity: 0.7913
Similarity to MM142666
| Tanimoto metric | 0.7913 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8835 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263740
Similarity: 0.7092
Similarity to MM263740
| Tanimoto metric | 0.7092 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8299 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65123
Similarity: 0.6783
Similarity to MM65123
| Tanimoto metric | 0.6783 |
|---|---|
| Cosine metric | 0.809 |
| Dice metric | 0.8083 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+293 more
