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DocumentationIdentifier: MM327735
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM327735 |
| SMILES |
COC(C)CC(C=O)C=O
|
| InChIKey |
MLLMXOHZFDEWNT-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141683
Similarity: 0.908
Similarity to MM141683
| Tanimoto metric | 0.908 |
|---|---|
| Cosine metric | 0.9529 |
| Dice metric | 0.9518 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261542
Similarity: 0.7745
Similarity to MM261542
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8729 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM261659
Similarity: 0.7383
Similarity to MM261659
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8512 |
| Dice metric | 0.8495 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
