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DocumentationIdentifier: MM385984
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385984 |
| SMILES |
C=CC1(C=C)NC1C(C)=O
|
| InChIKey |
IWSYVKRHFXXMJK-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.66
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 | 0.8992 |
|---|---|
| Cosine metric | 0.9482 |
| Dice metric | 0.9469 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.857 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.88 |
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|---|---|---|---|---|---|
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Total active interactions
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MM460648
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| Tanimoto metric | 0.7322 |
|---|---|
| Cosine metric | 0.8474 |
| Dice metric | 0.8454 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+16 more
