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DocumentationIdentifier: MM342425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM342425 |
| SMILES |
C=C(CO)C(C)(C)CC
|
| InChIKey |
PIXGOODTAUNTML-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
1.97
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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MM350075
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| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM342933
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| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM242159
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Similarity to MM242159
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|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+572 more
