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DocumentationIdentifier: MM439929
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM439929 |
| SMILES |
C=CC(C#N)=COCCO
|
| InChIKey |
CKQCUQXHKJOWKH-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201872
Similarity: 0.8617
Similarity to MM201872
| Tanimoto metric | 0.8617 |
|---|---|
| Cosine metric | 0.9283 |
| Dice metric | 0.9257 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM440304
Similarity: 0.781
Similarity to MM440304
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.877 |
| Dice metric | 0.877 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM439917
Similarity: 0.757
Similarity to MM439917
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8617 |
| Dice metric | 0.8617 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
