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DocumentationIdentifier: MM379857
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379857 |
| SMILES |
C#CC#CC(CO)OC=O
|
| InChIKey |
SHDQSZMGGSIQIB-UHFFFAOYSA-N
|
| MW [Da] |
138.12
Automatically obtained from RDkit software. |
| LogP |
-0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51428
Similarity: 0.8286
Similarity to MM51428
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379746
Similarity: 0.7311
Similarity to MM379746
| Tanimoto metric | 0.7311 |
|---|---|
| Cosine metric | 0.8448 |
| Dice metric | 0.8447 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158439
Similarity: 0.7048
Similarity to MM158439
| Tanimoto metric | 0.7048 |
|---|---|
| Cosine metric | 0.8395 |
| Dice metric | 0.8268 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+112 more
