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DocumentationIdentifier: MM271646
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM271646 |
| SMILES |
CC(C)CN1CC1(C)C#N
|
| InChIKey |
WMMLCASLKKOHRQ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.24
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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| Tanimoto metric | 0.9338 |
|---|---|
| Cosine metric | 0.9663 |
| Dice metric | 0.9658 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8924 |
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| Cosine metric | 0.9432 |
| Dice metric | 0.9431 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
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|---|---|---|---|---|---|
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Total active interactions
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MM372995
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Similarity to MM372995
| Tanimoto metric | 0.8606 |
|---|---|
| Cosine metric | 0.9252 |
| Dice metric | 0.9251 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
