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DocumentationIdentifier: MM97342
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97342 |
| SMILES |
CC(C)OCC=O
|
| InChIKey |
JOFJLDMQBUWNGH-UHFFFAOYSA-N
|
| MW [Da] |
102.13
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
MM102779
Similarity: 0.7619
Similarity to MM102779
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97956
Similarity: 0.75
Similarity to MM97956
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8603 |
| Dice metric | 0.8571 |
| MW: | 102.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104213
Similarity: 0.7442
Similarity to MM104213
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+295 more
