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DocumentationIdentifier: MM232033
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232033 |
| SMILES |
C=CCC(C=O)C(C)(C)O
|
| InChIKey |
WAEGIPQSSXKBHB-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52181
Similarity: 0.748
Similarity to MM52181
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8558 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388199
Similarity: 0.7222
Similarity to MM388199
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8387 |
| Dice metric | 0.8387 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131374
Similarity: 0.7154
Similarity to MM131374
| Tanimoto metric | 0.7154 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8341 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+246 more
