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DocumentationIdentifier: MM357821
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357821 |
| SMILES |
C=C(C=CC#N)COC=O
|
| InChIKey |
GONKFVMVEZAENR-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157312
Similarity: 0.798
Similarity to MM157312
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8933 |
| Dice metric | 0.8876 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377196
Similarity: 0.6371
Similarity to MM377196
| Tanimoto metric | 0.6371 |
|---|---|
| Cosine metric | 0.7786 |
| Dice metric | 0.7783 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251616
Similarity: 0.6172
Similarity to MM251616
| Tanimoto metric | 0.6172 |
|---|---|
| Cosine metric | 0.764 |
| Dice metric | 0.7633 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+130 more
