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DocumentationIdentifier: MM450841
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM450841 |
| SMILES |
C=CC=COCC#CCO
|
| InChIKey |
GYXYCDHHGZKXJY-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214155
Similarity: 0.9048
Similarity to MM214155
| Tanimoto metric | 0.9048 |
|---|---|
| Cosine metric | 0.9512 |
| Dice metric | 0.95 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214388
Similarity: 0.8413
Similarity to MM214388
| Tanimoto metric | 0.8413 |
|---|---|
| Cosine metric | 0.9172 |
| Dice metric | 0.9138 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450969
Similarity: 0.7808
Similarity to MM450969
| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8773 |
| Dice metric | 0.8769 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+680 more
