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DocumentationIdentifier: MM327092
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM327092 |
| SMILES |
C=CC(C)OC(C=C)CC
|
| InChIKey |
KJXZDKLKYJXCPB-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.54
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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MM326775
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| Tanimoto metric | 0.9125 |
|---|---|
| Cosine metric | 0.9543 |
| Dice metric | 0.9542 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9528 |
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| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.38 |
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Total active interactions
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Similarity to MM199002
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
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| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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