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DocumentationIdentifier: MM161490
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161490 |
| SMILES |
C=C(C)C(=O)C(C)=CC
|
| InChIKey |
NNSFBVCZOHPQEF-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
2.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM254353
Similarity: 0.7869
Similarity to MM254353
| Tanimoto metric | 0.7869 |
|---|---|
| Cosine metric | 0.8871 |
| Dice metric | 0.8807 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300864
Similarity: 0.7805
Similarity to MM300864
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8767 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175005
Similarity: 0.7647
Similarity to MM175005
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8667 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+372 more
