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DocumentationIdentifier: MM138230
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138230 |
| SMILES |
CC(O)(CN)CNC=N
|
| InChIKey |
NQWQDLGIITUOCL-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-1.11
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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MM308020
Similarity: 0.9425
Similarity to MM308020
| Tanimoto metric | 0.9425 |
|---|---|
| Cosine metric | 0.9708 |
| Dice metric | 0.9704 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240006
Similarity: 0.8454
Similarity to MM240006
| Tanimoto metric | 0.8454 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9162 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM308085
Similarity: 0.7321
Similarity to MM308085
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8454 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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