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DocumentationIdentifier: MM438632
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM438632 |
| SMILES |
CCC(C=O)=CNCC#N
|
| InChIKey |
MVTOBLRWFLEVHB-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM74157
Similarity: 0.7797
Similarity to MM74157
| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.8772 |
| Dice metric | 0.8762 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM437922
Similarity: 0.7387
Similarity to MM437922
| Tanimoto metric | 0.7387 |
|---|---|
| Cosine metric | 0.8503 |
| Dice metric | 0.8497 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346686
Similarity: 0.7257
Similarity to MM346686
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8413 |
| Dice metric | 0.841 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
