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DocumentationIdentifier: MM224384
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224384 |
| SMILES |
CC=C(C=O)CC(C)(C)C
|
| InChIKey |
CNJTWMRNWMZXIZ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
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 | 0.8478 |
|---|---|
| Cosine metric | 0.9208 |
| Dice metric | 0.9176 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.18 |
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|---|---|---|---|---|---|
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Total active interactions
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MM273490
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| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8278 |
| Dice metric | 0.8272 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+483 more
