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DocumentationIdentifier: MM242387
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242387 |
| SMILES |
C=COC(=C)C(C)(C)C=O
|
| InChIKey |
BMLRLPNCHTZVQG-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.89
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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| Tanimoto metric | 0.8304 |
|---|---|
| Cosine metric | 0.9112 |
| Dice metric | 0.9073 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8914 |
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| MW: | 126.16 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.5 |
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| AI: | 0
Total active interactions
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MM242344
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| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8444 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+275 more
