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DocumentationIdentifier: MM218781
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM218781 |
| SMILES |
CC1C(C#N)N1CC#N
|
| InChIKey |
VWSUFXJEXOMVBH-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
0.11
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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MM127461
Similarity: 0.8934
Similarity to MM127461
| Tanimoto metric | 0.8934 |
|---|---|
| Cosine metric | 0.9452 |
| Dice metric | 0.9437 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM127861
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Similarity to MM127861
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8381 |
| MW: | 107.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM218741
Similarity: 0.7143
Similarity to MM218741
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8357 |
| Dice metric | 0.8333 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+174 more
