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DocumentationIdentifier: MM265189
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM265189 |
| SMILES |
CC=C(C)OC(=O)CC#N
|
| InChIKey |
YIGDZAIJPGKTGM-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
MM135663
Similarity: 0.7619
Similarity to MM135663
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266032
Similarity: 0.7162
Similarity to MM266032
| Tanimoto metric | 0.7162 |
|---|---|
| Cosine metric | 0.8347 |
| Dice metric | 0.8346 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265924
Similarity: 0.6897
Similarity to MM265924
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8167 |
| Dice metric | 0.8163 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
