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DocumentationIdentifier: MM178352
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178352 |
| SMILES |
CC#CC(COC)OC
|
| InChIKey |
DNCQHTZLWXSFHH-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM379567
Similarity: 0.8804
Similarity to MM379567
| Tanimoto metric | 0.8804 |
|---|---|
| Cosine metric | 0.9383 |
| Dice metric | 0.9364 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379571
Similarity: 0.8526
Similarity to MM379571
| Tanimoto metric | 0.8526 |
|---|---|
| Cosine metric | 0.9234 |
| Dice metric | 0.9205 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389288
Similarity: 0.8351
Similarity to MM389288
| Tanimoto metric | 0.8351 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+930 more
