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DocumentationIdentifier: MM453452
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM453452 |
| SMILES |
C#CC=COC=CC#CC
|
| InChIKey |
GXOKRAMSYJYHNF-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215450
Similarity: 1
Similarity to MM215450
| Tanimoto metric | 1 |
|---|---|
| Cosine metric | 1 |
| Dice metric | 1 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126785
Similarity: 0.9149
Similarity to MM126785
| Tanimoto metric | 0.9149 |
|---|---|
| Cosine metric | 0.9565 |
| Dice metric | 0.9556 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM457984
Similarity: 0.9038
Similarity to MM457984
| Tanimoto metric | 0.9038 |
|---|---|
| Cosine metric | 0.9507 |
| Dice metric | 0.9495 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
