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DocumentationIdentifier: MM348997
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348997 |
| SMILES |
COC(=O)C(C)C(C)CO
|
| InChIKey |
WPOAHSLVUFXKDF-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160397
Similarity: 0.8056
Similarity to MM160397
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8923 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349544
Similarity: 0.7561
Similarity to MM349544
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8611 |
| Dice metric | 0.8611 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328499
Similarity: 0.7009
Similarity to MM328499
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8271 |
| Dice metric | 0.8241 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+471 more
