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DocumentationIdentifier: MM150563
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150563 |
| SMILES |
CC=C(C#N)OC(C)=O
|
| InChIKey |
KDWLJRLMMTVSSP-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67512
Similarity: 0.8281
Similarity to MM67512
| Tanimoto metric | 0.8281 |
|---|---|
| Cosine metric | 0.91 |
| Dice metric | 0.906 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273866
Similarity: 0.797
Similarity to MM273866
| Tanimoto metric | 0.797 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.887 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67471
Similarity: 0.797
Similarity to MM67471
| Tanimoto metric | 0.797 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.887 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+217 more
