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DocumentationIdentifier: MM386427
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386427 |
| SMILES |
C=COCC(CC#N)OC
|
| InChIKey |
JDQYOGYMFPNJNR-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM74993
Similarity: 0.8288
Similarity to MM74993
| Tanimoto metric | 0.8288 |
|---|---|
| Cosine metric | 0.9065 |
| Dice metric | 0.9064 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51215
Similarity: 0.77
Similarity to MM51215
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8775 |
| Dice metric | 0.8701 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45777
Similarity: 0.76
Similarity to MM45777
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+449 more
