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DocumentationIdentifier: MM420415
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420415 |
| SMILES |
NC=C(C=O)OC=CCO
|
| InChIKey |
YIIATWNUEYHREE-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM55066
Similarity: 0.8614
Similarity to MM55066
| Tanimoto metric | 0.8614 |
|---|---|
| Cosine metric | 0.9281 |
| Dice metric | 0.9255 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420409
Similarity: 0.7436
Similarity to MM420409
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.853 |
| Dice metric | 0.8529 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82045
Similarity: 0.7311
Similarity to MM82045
| Tanimoto metric | 0.7311 |
|---|---|
| Cosine metric | 0.8448 |
| Dice metric | 0.8447 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+137 more
