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DocumentationIdentifier: MM162058
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162058 |
| SMILES |
C=COCC(C)C(C)O
|
| InChIKey |
CUVIUFLJUCGSRK-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM392405
Similarity: 0.9157
Similarity to MM392405
| Tanimoto metric | 0.9157 |
|---|---|
| Cosine metric | 0.9569 |
| Dice metric | 0.956 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231299
Similarity: 0.7835
Similarity to MM231299
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8786 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198679
Similarity: 0.7595
Similarity to MM198679
| Tanimoto metric | 0.7595 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8633 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+475 more
