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DocumentationIdentifier: MM309798
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309798 |
| SMILES |
C#CC(C)(C#C)OCC=O
|
| InChIKey |
UUKSZLMHSALJAA-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138533
Similarity: 0.8313
Similarity to MM138533
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9079 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139629
Similarity: 0.7952
Similarity to MM139629
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8859 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313148
Similarity: 0.7586
Similarity to MM313148
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8659 |
| Dice metric | 0.8627 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+570 more
