Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM111621
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111621 |
| SMILES |
C#CC(N)C(O)CC
|
| InChIKey |
FWWBMEOXJINZKB-UHFFFAOYSA-N
|
| MW [Da] |
113.16
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
MM172305
Similarity: 0.8409
Similarity to MM172305
| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9136 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172245
Similarity: 0.7789
Similarity to MM172245
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8757 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160071
Similarity: 0.7551
Similarity to MM160071
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8605 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+626 more
