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DocumentationIdentifier: MM267447
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267447 |
| SMILES |
CCOC(C)=CC(C)C#N
|
| InChIKey |
UNRKFRDKVJQQIQ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
2.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143475
Similarity: 0.8286
Similarity to MM143475
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM335822
Similarity: 0.7565
Similarity to MM335822
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8614 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267521
Similarity: 0.7479
Similarity to MM267521
| Tanimoto metric | 0.7479 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8558 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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