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DocumentationIdentifier: MM130425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130425 |
| SMILES |
CC(=O)OCC(C)(C)C
|
| InChIKey |
QLNYTCSELYEEPV-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103421
Similarity: 0.8387
Similarity to MM103421
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228023
Similarity: 0.747
Similarity to MM228023
| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8552 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228180
Similarity: 0.7294
Similarity to MM228180
| Tanimoto metric | 0.7294 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8435 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+547 more
