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DocumentationIdentifier: MM262865
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262865 |
| SMILES |
C=CCC(=C)OC(C)C#N
|
| InChIKey |
CKWRNXHRGIMUGB-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142289
Similarity: 0.8269
Similarity to MM142289
| Tanimoto metric | 0.8269 |
|---|---|
| Cosine metric | 0.9094 |
| Dice metric | 0.9053 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262725
Similarity: 0.7395
Similarity to MM262725
| Tanimoto metric | 0.7395 |
|---|---|
| Cosine metric | 0.8503 |
| Dice metric | 0.8502 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262866
Similarity: 0.7288
Similarity to MM262866
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8431 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+408 more
