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DocumentationIdentifier: MM127755
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM127755 |
| SMILES |
C=CC1NC1CNC
|
| InChIKey |
CFSNSHBIVNVDGV-UHFFFAOYSA-N
|
| MW [Da] |
112.18
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM216694
Similarity: 0.8583
Similarity to MM216694
| Tanimoto metric | 0.8583 |
|---|---|
| Cosine metric | 0.9265 |
| Dice metric | 0.9238 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM293247
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| Tanimoto metric | 0.7923 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM216772
Similarity: 0.7803
Similarity to MM216772
| Tanimoto metric | 0.7803 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8766 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
