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DocumentationIdentifier: MM450360
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM450360 |
| SMILES |
CCC=COCC=CC#N
|
| InChIKey |
FBIKMNAFVJYZBS-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214053
Similarity: 0.8871
Similarity to MM214053
| Tanimoto metric | 0.8871 |
|---|---|
| Cosine metric | 0.9419 |
| Dice metric | 0.9402 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450478
Similarity: 0.7857
Similarity to MM450478
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.88 |
| Dice metric | 0.88 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215021
Similarity: 0.7647
Similarity to MM215021
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8667 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+791 more
