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DocumentationIdentifier: MM275829
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275829 |
| SMILES |
CCC(C=C(C)C)C(=N)N
|
| InChIKey |
RKOISUFXPVYBTG-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.91
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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MM180148
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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8368 |
| Dice metric | 0.8368 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM305756
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| Tanimoto metric | 0.7042 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8264 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+228 more
