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DocumentationIdentifier: MM262060
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262060 |
| SMILES |
C=C(CO)CC(C)OC=O
|
| InChIKey |
NPALZFOOWMYPFT-UHFFFAOYSA-N
|
| MW [Da] |
144.17
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
MM48623
Similarity: 0.625
Similarity to MM48623
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7692 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72651
Similarity: 0.6127
Similarity to MM72651
| Tanimoto metric | 0.6127 |
|---|---|
| Cosine metric | 0.76 |
| Dice metric | 0.7598 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262062
Similarity: 0.6111
Similarity to MM262062
| Tanimoto metric | 0.6111 |
|---|---|
| Cosine metric | 0.7591 |
| Dice metric | 0.7586 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
