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DocumentationIdentifier: MM36819
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM36819 |
| SMILES |
CC=C(C)OCC#N
|
| InChIKey |
YWBWSWGIBDKPLY-UHFFFAOYSA-N
|
| MW [Da] |
111.14
Automatically obtained from RDkit software. |
| LogP |
1.45
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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MM47114
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| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.8939 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7662 |
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| Cosine metric | 0.8753 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
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|---|---|---|---|---|---|
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MM47076
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| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8753 |
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| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+620 more
