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DocumentationIdentifier: MM124392
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM124392 |
| SMILES |
CC(C#N)C1NC1C
|
| InChIKey |
JHGUYIZGFYSBFB-UHFFFAOYSA-N
|
| MW [Da] |
110.16
Automatically obtained from RDkit software. |
| LogP |
0.51
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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MM195173
Similarity: 0.8779
Similarity to MM195173
| Tanimoto metric | 0.8779 |
|---|---|
| Cosine metric | 0.9369 |
| Dice metric | 0.935 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM210693
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| Tanimoto metric | 0.8394 |
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| Cosine metric | 0.9162 |
| Dice metric | 0.9127 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM435132
Similarity: 0.8156
Similarity to MM435132
| Tanimoto metric | 0.8156 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.8984 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+212 more
