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DocumentationIdentifier: MM379571
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379571 |
| SMILES |
COCC(C#CCO)OC
|
| InChIKey |
YUKMKICSBKFRTO-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178352
Similarity: 0.8526
Similarity to MM178352
| Tanimoto metric | 0.8526 |
|---|---|
| Cosine metric | 0.9234 |
| Dice metric | 0.9205 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM431653
Similarity: 0.798
Similarity to MM431653
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8897 |
| Dice metric | 0.8876 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201191
Similarity: 0.7895
Similarity to MM201191
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+663 more
