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DocumentationIdentifier: MM57497
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57497 |
| SMILES |
CC(C)=CC(=O)CC(C)O
|
| InChIKey |
ASUPSGFZDPKFJQ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135825
Similarity: 0.8396
Similarity to MM135825
| Tanimoto metric | 0.8396 |
|---|---|
| Cosine metric | 0.9163 |
| Dice metric | 0.9128 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237554
Similarity: 0.7479
Similarity to MM237554
| Tanimoto metric | 0.7479 |
|---|---|
| Cosine metric | 0.8559 |
| Dice metric | 0.8558 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41381
Similarity: 0.7264
Similarity to MM41381
| Tanimoto metric | 0.7264 |
|---|---|
| Cosine metric | 0.8523 |
| Dice metric | 0.8415 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+601 more
