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DocumentationIdentifier: MM373287
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373287 |
| SMILES |
CC1(C#N)CN1CCC#N
|
| InChIKey |
NJVCVFQHDYWDPM-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.5
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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MM177137
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Similarity to MM177137
| Tanimoto metric | 0.9527 |
|---|---|
| Cosine metric | 0.9761 |
| Dice metric | 0.9758 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM271646
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| Tanimoto metric | 0.8924 |
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| Cosine metric | 0.9432 |
| Dice metric | 0.9431 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM372995
Similarity: 0.8765
Similarity to MM372995
| Tanimoto metric | 0.8765 |
|---|---|
| Cosine metric | 0.9345 |
| Dice metric | 0.9342 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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