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DocumentationIdentifier: MM151516
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM151516 |
| SMILES |
C=CC1(OC(C)C)CC1
|
| InChIKey |
ZYLJYPMQASLWQK-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM341582
Similarity: 0.9068
Similarity to MM341582
| Tanimoto metric | 0.9068 |
|---|---|
| Cosine metric | 0.9522 |
| Dice metric | 0.9511 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM341365
Similarity: 0.8992
Similarity to MM341365
| Tanimoto metric | 0.8992 |
|---|---|
| Cosine metric | 0.9482 |
| Dice metric | 0.9469 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM203087
Similarity: 0.8151
Similarity to MM203087
| Tanimoto metric | 0.8151 |
|---|---|
| Cosine metric | 0.8982 |
| Dice metric | 0.8981 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+135 more
