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DocumentationIdentifier: MM438740
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM438740 |
| SMILES |
C=CCOC=C(C=C)CN
|
| InChIKey |
GMUHMPJNIRPLKO-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201727
Similarity: 0.8764
Similarity to MM201727
| Tanimoto metric | 0.8764 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9341 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438005
Similarity: 0.798
Similarity to MM438005
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8876 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438000
Similarity: 0.7647
Similarity to MM438000
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8667 |
| Dice metric | 0.8667 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+426 more
