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DocumentationIdentifier: MM372899
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372899 |
| SMILES |
C=CCNC=NC(C)C=O
|
| InChIKey |
XVTSOIGHZSOPCW-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.38
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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MM372739
Similarity: 0.7097
Similarity to MM372739
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8302 |
| Dice metric | 0.8302 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153597
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| Tanimoto metric | 0.6962 |
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| Cosine metric | 0.8344 |
| Dice metric | 0.8209 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6735 |
|---|---|
| Cosine metric | 0.8054 |
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| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+175 more
