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DocumentationIdentifier: MM215497
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM215497 |
| SMILES |
COCC=CC=CCO
|
| InChIKey |
LZSAIJNSIUHLLD-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126720
Similarity: 0.9487
Similarity to MM126720
| Tanimoto metric | 0.9487 |
|---|---|
| Cosine metric | 0.974 |
| Dice metric | 0.9737 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215598
Similarity: 0.8409
Similarity to MM215598
| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.9142 |
| Dice metric | 0.9136 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215118
Similarity: 0.8043
Similarity to MM215118
| Tanimoto metric | 0.8043 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8916 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+443 more
