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DocumentationIdentifier: MM287562
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287562 |
| SMILES |
CN(C)CCOC=CC#N
|
| InChIKey |
UHYJASRPXPFNFC-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.6
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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MM213710
Similarity: 0.8732
Similarity to MM213710
| Tanimoto metric | 0.8732 |
|---|---|
| Cosine metric | 0.9345 |
| Dice metric | 0.9323 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM152953
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| Tanimoto metric | 0.8169 |
|---|---|
| Cosine metric | 0.9038 |
| Dice metric | 0.8992 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM448464
Similarity: 0.7848
Similarity to MM448464
| Tanimoto metric | 0.7848 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.8794 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+532 more
