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DocumentationIdentifier: MM44011
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44011 |
| SMILES |
C=CC(OC)C(C#N)NC
|
| InChIKey |
XGGIEAKGDWRULT-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44190
Similarity: 0.6964
Similarity to MM44190
| Tanimoto metric | 0.6964 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8211 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76239
Similarity: 0.6905
Similarity to MM76239
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8309 |
| Dice metric | 0.8169 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM187982
Similarity: 0.6276
Similarity to MM187982
| Tanimoto metric | 0.6276 |
|---|---|
| Cosine metric | 0.7723 |
| Dice metric | 0.7712 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+119 more
