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DocumentationIdentifier: MM304709
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304709 |
| SMILES |
C#CC=COC(=C)C(C)C
|
| InChIKey |
HDMLBWRMZGHQQX-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168733
Similarity: 0.8068
Similarity to MM168733
| Tanimoto metric | 0.8068 |
|---|---|
| Cosine metric | 0.8982 |
| Dice metric | 0.8931 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304629
Similarity: 0.72
Similarity to MM304629
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.8372 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231500
Similarity: 0.7129
Similarity to MM231500
| Tanimoto metric | 0.7129 |
|---|---|
| Cosine metric | 0.8325 |
| Dice metric | 0.8324 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+460 more
