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DocumentationIdentifier: MM238290
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238290 |
| SMILES |
C#CC#CC(=O)C=C(C)C
|
| InChIKey |
VMJMVRWBYJLBTN-UHFFFAOYSA-N
|
| MW [Da] |
132.16
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
MM158714
Similarity: 0.8387
Similarity to MM158714
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136320
Similarity: 0.828
Similarity to MM136320
| Tanimoto metric | 0.828 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9059 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283261
Similarity: 0.7573
Similarity to MM283261
| Tanimoto metric | 0.7573 |
|---|---|
| Cosine metric | 0.8622 |
| Dice metric | 0.8619 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+351 more
