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DocumentationIdentifier: MM253487
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253487 |
| SMILES |
CC(=COC(C)C)CC#N
|
| InChIKey |
YPCKTDHYVWHEEJ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
2.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM284750
Similarity: 0.7684
Similarity to MM284750
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.869 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284819
Similarity: 0.7526
Similarity to MM284819
| Tanimoto metric | 0.7526 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.8588 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385643
Similarity: 0.7449
Similarity to MM385643
| Tanimoto metric | 0.7449 |
|---|---|
| Cosine metric | 0.8538 |
| Dice metric | 0.8538 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+514 more
