Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM382426
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382426 |
| SMILES |
C=CC(=CC#N)OCCO
|
| InChIKey |
UYXMUUZPUJRCFI-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179172
Similarity: 0.8318
Similarity to MM179172
| Tanimoto metric | 0.8318 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9082 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200107
Similarity: 0.757
Similarity to MM200107
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8617 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382538
Similarity: 0.7479
Similarity to MM382538
| Tanimoto metric | 0.7479 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8558 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
