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DocumentationIdentifier: MM280247
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280247 |
| SMILES |
C=C(CCO)OC=CC#N
|
| InChIKey |
KTEJZCFFZAIQOM-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.94
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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| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9108 |
| Dice metric | 0.9068 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156897
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| Tanimoto metric | 0.7955 |
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| Cosine metric | 0.8919 |
| Dice metric | 0.8861 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM280476
Similarity: 0.7087
Similarity to MM280476
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8295 |
| Dice metric | 0.8295 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
