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DocumentationIdentifier: MM360489
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360489 |
| SMILES |
N=C(C=CNO)NCCN
|
| InChIKey |
OJCURDRKGWBCAE-UHFFFAOYSA-N
|
| MW [Da] |
144.18
Automatically obtained from RDkit software. |
| LogP |
-1
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 | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM157264
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| Tanimoto metric | 0.8229 |
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| Cosine metric | 0.9071 |
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| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM279268
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| Tanimoto metric | 0.7453 |
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| Cosine metric | 0.8547 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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