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DocumentationIdentifier: MM374074
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374074 |
| SMILES |
C=C(C#N)OC=CCOC
|
| InChIKey |
LNMFQLFORXKCSU-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
1.2
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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MM49252
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Similarity to MM49252
| Tanimoto metric | 0.9012 |
|---|---|
| Cosine metric | 0.9493 |
| Dice metric | 0.9481 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM113738
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| Tanimoto metric | 0.7284 |
|---|---|
| Cosine metric | 0.8535 |
| Dice metric | 0.8429 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM420391
Similarity: 0.7157
Similarity to MM420391
| Tanimoto metric | 0.7157 |
|---|---|
| Cosine metric | 0.8366 |
| Dice metric | 0.8343 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+335 more
