Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM174553
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174553 |
| SMILES |
CC#CC(N)C(O)CN
|
| InChIKey |
VGLKVBACLNDIFP-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM357409
Similarity: 0.8772
Similarity to MM357409
| Tanimoto metric | 0.8772 |
|---|---|
| Cosine metric | 0.9366 |
| Dice metric | 0.9346 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357723
Similarity: 0.8264
Similarity to MM357723
| Tanimoto metric | 0.8264 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.905 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357631
Similarity: 0.8065
Similarity to MM357631
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+700 more
