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DocumentationIdentifier: MM222418
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222418 |
| SMILES |
CC(C)(C)C(C)(C)OC=O
|
| InChIKey |
CTGDSLNKDNHFQU-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132640
Similarity: 0.8
Similarity to MM132640
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103017
Similarity: 0.6222
Similarity to MM103017
| Tanimoto metric | 0.6222 |
|---|---|
| Cosine metric | 0.7888 |
| Dice metric | 0.7671 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108123
Similarity: 0.6
Similarity to MM108123
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.7746 |
| Dice metric | 0.75 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+297 more
