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DocumentationIdentifier: MM351520
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351520 |
| SMILES |
C=CC(C)C(=O)C(O)C=C
|
| InChIKey |
COUWSRHWCUCPGZ-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47501
Similarity: 0.814
Similarity to MM47501
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.8974 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47502
Similarity: 0.7519
Similarity to MM47502
| Tanimoto metric | 0.7519 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8584 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223911
Similarity: 0.7152
Similarity to MM223911
| Tanimoto metric | 0.7152 |
|---|---|
| Cosine metric | 0.834 |
| Dice metric | 0.834 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
