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DocumentationIdentifier: MM386223
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386223 |
| SMILES |
C=CCC(C=C)=COCC
|
| InChIKey |
VDZRRGNFYCWSEZ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201725
Similarity: 0.7849
Similarity to MM201725
| Tanimoto metric | 0.7849 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8795 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386330
Similarity: 0.7596
Similarity to MM386330
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8634 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM437976
Similarity: 0.7353
Similarity to MM437976
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8486 |
| Dice metric | 0.8475 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+209 more
