Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM76600
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76600 |
| SMILES |
CCC(O)(CO)C(C)C#N
|
| InChIKey |
PFGSHMKLNFWQMX-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60389
Similarity: 0.7589
Similarity to MM60389
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8629 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41497
Similarity: 0.7541
Similarity to MM41497
| Tanimoto metric | 0.7541 |
|---|---|
| Cosine metric | 0.8684 |
| Dice metric | 0.8598 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60387
Similarity: 0.6986
Similarity to MM60387
| Tanimoto metric | 0.6986 |
|---|---|
| Cosine metric | 0.8227 |
| Dice metric | 0.8226 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+234 more
