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DocumentationIdentifier: MM224573
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224573 |
| SMILES |
C=CC(C=C)=CC(C)(C)N
|
| InChIKey |
LVEHAFWTKUOJHU-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
2.02
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 | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7765 |
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| Cosine metric | 0.8812 |
| Dice metric | 0.8742 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.63 |
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Total active interactions
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MM221447
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| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8427 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
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Total active interactions
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