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DocumentationIdentifier: MM288995
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288995 |
| SMILES |
C=CC#CC=COC(=C)C
|
| InChIKey |
NRJVYMPYBPADPE-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
2.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153878
Similarity: 0.9265
Similarity to MM153878
| Tanimoto metric | 0.9265 |
|---|---|
| Cosine metric | 0.9625 |
| Dice metric | 0.9618 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289010
Similarity: 0.8182
Similarity to MM289010
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9004 |
| Dice metric | 0.9 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288976
Similarity: 0.7875
Similarity to MM288976
| Tanimoto metric | 0.7875 |
|---|---|
| Cosine metric | 0.8822 |
| Dice metric | 0.8811 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+460 more
