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DocumentationIdentifier: MM42390
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42390 |
| SMILES |
C=COC(C)(C=O)C=O
|
| InChIKey |
NDTGAGSKOCVXFM-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78202
Similarity: 0.9605
Similarity to MM78202
| Tanimoto metric | 0.9605 |
|---|---|
| Cosine metric | 0.9801 |
| Dice metric | 0.9799 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103095
Similarity: 0.8082
Similarity to MM103095
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.8939 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM310242
Similarity: 0.8022
Similarity to MM310242
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8902 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
