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DocumentationIdentifier: MM349221
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349221 |
| SMILES |
C=CC(=O)C(C)C(C)CC
|
| InChIKey |
BQRCTKCTRKAOKA-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM160432
Similarity: 0.7843
Similarity to MM160432
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8791 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172689
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| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8791 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM349743
Similarity: 0.7593
Similarity to MM349743
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8655 |
| Dice metric | 0.8632 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+481 more
