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DocumentationIdentifier: MM125875
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM125875 |
| SMILES |
C=CCOCC=CC
|
| InChIKey |
ATVLDLYAISLOEO-UHFFFAOYSA-N
|
| MW [Da] |
112.17
Automatically obtained from RDkit software. |
| LogP |
1.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM100752
Similarity: 0.9063
Similarity to MM100752
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.952 |
| Dice metric | 0.9508 |
| MW: | 100.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213851
Similarity: 0.8
Similarity to MM213851
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126078
Similarity: 0.775
Similarity to MM126078
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8775 |
| Dice metric | 0.8732 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+458 more
