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DocumentationIdentifier: MM306999
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306999 |
| SMILES |
C=C(C)C(CNC)C(=C)C
|
| InChIKey |
QSLZHYGSJMLKAE-UHFFFAOYSA-N
|
| MW [Da] |
139.24
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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| Tanimoto metric | 0.8252 |
|---|---|
| Cosine metric | 0.9084 |
| Dice metric | 0.9043 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.71 |
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MM393276
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| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8375 |
| Dice metric | 0.8374 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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