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DocumentationIdentifier: MM243211
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243211 |
| SMILES |
C=CC(C)(CC=O)OC=O
|
| InChIKey |
DOZVHZIOYKRICX-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132412
Similarity: 0.6371
Similarity to MM132412
| Tanimoto metric | 0.6371 |
|---|---|
| Cosine metric | 0.7982 |
| Dice metric | 0.7783 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243175
Similarity: 0.5987
Similarity to MM243175
| Tanimoto metric | 0.5987 |
|---|---|
| Cosine metric | 0.7491 |
| Dice metric | 0.749 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376832
Similarity: 0.5909
Similarity to MM376832
| Tanimoto metric | 0.5909 |
|---|---|
| Cosine metric | 0.7429 |
| Dice metric | 0.7429 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+36 more
