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DocumentationIdentifier: MM355880
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355880 |
| SMILES |
C=C(CCOC)OCC#N
|
| InChIKey |
NFYKDPSDPYSRDM-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
1.08
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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MM45933
Similarity: 0.881
Similarity to MM45933
| Tanimoto metric | 0.881 |
|---|---|
| Cosine metric | 0.9386 |
| Dice metric | 0.9367 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM365082
Similarity: 0.7889
Similarity to MM365082
| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.882 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM291785
Similarity: 0.7386
Similarity to MM291785
| Tanimoto metric | 0.7386 |
|---|---|
| Cosine metric | 0.8538 |
| Dice metric | 0.8497 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+537 more
