Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM312517
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312517 |
| SMILES |
N#CC(CO)(CO)CCO
|
| InChIKey |
PBDBTMHOVKTYIQ-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139330
Similarity: 0.8409
Similarity to MM139330
| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9136 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53052
Similarity: 0.7841
Similarity to MM53052
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8855 |
| Dice metric | 0.879 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77974
Similarity: 0.77
Similarity to MM77974
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8701 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
