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DocumentationIdentifier: MM84941
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84941 |
| SMILES |
C=C(COCC)C(O)C#N
|
| InChIKey |
BHSLSDXLVUYAHE-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50328
Similarity: 0.8347
Similarity to MM50328
| Tanimoto metric | 0.8347 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9099 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85003
Similarity: 0.7376
Similarity to MM85003
| Tanimoto metric | 0.7376 |
|---|---|
| Cosine metric | 0.849 |
| Dice metric | 0.849 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162401
Similarity: 0.7025
Similarity to MM162401
| Tanimoto metric | 0.7025 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8252 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
