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DocumentationIdentifier: MM349544
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349544 |
| SMILES |
COC(=O)C(C)C(C)C=O
|
| InChIKey |
VKGFAEUVFZRIMC-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172546
Similarity: 0.8148
Similarity to MM172546
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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
|
MM348997
Similarity: 0.7561
Similarity to MM348997
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8611 |
| Dice metric | 0.8611 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+457 more
