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DocumentationIdentifier: MM253596
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253596 |
| SMILES |
C=CCC(C)=COC(C)=O
|
| InChIKey |
KDQMCBZEFIJASN-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
2.03
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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MM146658
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Similarity to MM146658
| Tanimoto metric | 0.8247 |
|---|---|
| Cosine metric | 0.9082 |
| Dice metric | 0.904 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM347016
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| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8659 |
| Dice metric | 0.8649 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM325600
Similarity: 0.7069
Similarity to MM325600
| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8283 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
