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DocumentationIdentifier: MM292504
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292504 |
| SMILES |
C=COC(C)=CC#CCO
|
| InChIKey |
NGIHVXKSMLDXFS-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159746
Similarity: 0.8427
Similarity to MM159746
| Tanimoto metric | 0.8427 |
|---|---|
| Cosine metric | 0.918 |
| Dice metric | 0.9146 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171638
Similarity: 0.8315
Similarity to MM171638
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.908 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371803
Similarity: 0.8
Similarity to MM371803
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8889 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+504 more
