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DocumentationIdentifier: MM195483
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM195483 |
| SMILES |
CN=CNCC1NC1C
|
| InChIKey |
LYBQRXZUNHHGJD-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM124787
Similarity: 0.8482
Similarity to MM124787
| Tanimoto metric | 0.8482 |
|---|---|
| Cosine metric | 0.921 |
| Dice metric | 0.9179 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM309502
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Similarity to MM309502
| Tanimoto metric | 0.7134 |
|---|---|
| Cosine metric | 0.8446 |
| Dice metric | 0.8327 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM216621
Similarity: 0.6786
Similarity to MM216621
| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8094 |
| Dice metric | 0.8085 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
