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DocumentationIdentifier: MM96111
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM96111 |
| SMILES |
N#CC(O)C(=CC=O)CO
|
| InChIKey |
IWGHVQOQTWOYFA-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53649
Similarity: 0.7794
Similarity to MM53649
| Tanimoto metric | 0.7794 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.876 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51047
Similarity: 0.7647
Similarity to MM51047
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96112
Similarity: 0.6795
Similarity to MM96112
| Tanimoto metric | 0.6795 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.8092 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
