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DocumentationIdentifier: MM406574
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406574 |
| SMILES |
C=CC=COC(C=O)CO
|
| InChIKey |
KWNCFYIONXTXKQ-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54506
Similarity: 0.8542
Similarity to MM54506
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9213 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406282
Similarity: 0.7685
Similarity to MM406282
| Tanimoto metric | 0.7685 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8691 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406286
Similarity: 0.7664
Similarity to MM406286
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8677 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
