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DocumentationIdentifier: MM142289
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142289 |
| SMILES |
C=C(CC)OC(C)C#N
|
| InChIKey |
KOMUNCAAGLPOMB-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
1.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM262866
Similarity: 0.86
Similarity to MM262866
| Tanimoto metric | 0.86 |
|---|---|
| Cosine metric | 0.9274 |
| Dice metric | 0.9247 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262725
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Similarity to MM262725
| Tanimoto metric | 0.835 |
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| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262865
Similarity: 0.8269
Similarity to MM262865
| Tanimoto metric | 0.8269 |
|---|---|
| Cosine metric | 0.9094 |
| Dice metric | 0.9053 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+746 more
