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DocumentationIdentifier: MM334446
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334446 |
| SMILES |
C=CC(=O)NC(C#N)=CC
|
| InChIKey |
GLXXCNPUXOUCLP-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142827
Similarity: 0.7338
Similarity to MM142827
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8465 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143182
Similarity: 0.7122
Similarity to MM143182
| Tanimoto metric | 0.7122 |
|---|---|
| Cosine metric | 0.8439 |
| Dice metric | 0.8319 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273849
Similarity: 0.7044
Similarity to MM273849
| Tanimoto metric | 0.7044 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.8266 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
