Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM85003
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM85003 |
| SMILES |
C=COCC(=C)C(O)C#N
|
| InChIKey |
WCXQXQGFTGSHEA-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.59
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: 0.8145
Similarity to MM50328
| Tanimoto metric | 0.8145 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8978 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84941
Similarity: 0.7376
Similarity to MM84941
| Tanimoto metric | 0.7376 |
|---|---|
| Cosine metric | 0.849 |
| Dice metric | 0.849 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162500
Similarity: 0.7097
Similarity to MM162500
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.8302 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
