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DocumentationIdentifier: MM386436
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386436 |
| SMILES |
C#CCC(C=C)=COCC
|
| InChIKey |
QTDKNCJZDXJIMD-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM386463
Similarity: 0.7748
Similarity to MM386463
| Tanimoto metric | 0.7748 |
|---|---|
| Cosine metric | 0.8732 |
| Dice metric | 0.8731 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159648
Similarity: 0.73
Similarity to MM159648
| Tanimoto metric | 0.73 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8439 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201725
Similarity: 0.73
Similarity to MM201725
| Tanimoto metric | 0.73 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8439 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+569 more
