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DocumentationIdentifier: MM353577
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353577 |
| SMILES |
C=C(NC=NC)C(C)C#N
|
| InChIKey |
OLVBRIWRKJYRHA-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.91
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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MM95085
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Similarity to MM95085
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8523 |
| Dice metric | 0.8416 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162939
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| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM280329
Similarity: 0.6589
Similarity to MM280329
| Tanimoto metric | 0.6589 |
|---|---|
| Cosine metric | 0.7979 |
| Dice metric | 0.7944 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+287 more
