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DocumentationIdentifier: MM111829
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111829 |
| SMILES |
C=C(C=O)C(C)CC
|
| InChIKey |
CQZLNEAXRRETST-UHFFFAOYSA-N
|
| MW [Da] |
112.17
Automatically obtained from RDkit software. |
| LogP |
1.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172757
Similarity: 0.8158
Similarity to MM172757
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137835
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Similarity to MM137835
| Tanimoto metric | 0.7654 |
|---|---|
| Cosine metric | 0.8749 |
| Dice metric | 0.8671 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM172755
Similarity: 0.7561
Similarity to MM172755
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+445 more
