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DocumentationIdentifier: MM178383
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178383 |
| SMILES |
CC#CC(C=O)OCC
|
| InChIKey |
JCURZKFWOSRRLC-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM389458
Similarity: 0.8776
Similarity to MM389458
| Tanimoto metric | 0.8776 |
|---|---|
| Cosine metric | 0.9368 |
| Dice metric | 0.9348 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379952
Similarity: 0.8431
Similarity to MM379952
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88296
Similarity: 0.835
Similarity to MM88296
| Tanimoto metric | 0.835 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+236 more
