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DocumentationIdentifier: MM373283
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373283 |
| SMILES |
CC1(C=O)CN1CCC#N
|
| InChIKey |
DJGGDISMLLCYOS-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.17
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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MM177136
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| Tanimoto metric | 0.8563 |
|---|---|
| Cosine metric | 0.9254 |
| Dice metric | 0.9226 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM271645
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| Tanimoto metric | 0.8125 |
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| Cosine metric | 0.8975 |
| Dice metric | 0.8966 |
| MW: | 141.21 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.92 |
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Total active interactions
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MM372993
Similarity: 0.7956
Similarity to MM372993
| Tanimoto metric | 0.7956 |
|---|---|
| Cosine metric | 0.8865 |
| Dice metric | 0.8862 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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