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DocumentationIdentifier: MM337101
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM337101 |
| SMILES |
CC(C#N)C=C(CO)CO
|
| InChIKey |
SSXVWTHGRVIZBE-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81007
Similarity: 0.8315
Similarity to MM81007
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.908 |
| Dice metric | 0.908 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227566
Similarity: 0.7708
Similarity to MM227566
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.8711 |
| Dice metric | 0.8706 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55618
Similarity: 0.7439
Similarity to MM55618
| Tanimoto metric | 0.7439 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8531 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+609 more
