Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM318748
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318748 |
| SMILES |
C=C(CN)CNC(=O)CO
|
| InChIKey |
NMAXPJHYBHCDQD-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43865
Similarity: 0.8214
Similarity to MM43865
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144853
Similarity: 0.7411
Similarity to MM144853
| Tanimoto metric | 0.7411 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8513 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78893
Similarity: 0.6866
Similarity to MM78893
| Tanimoto metric | 0.6866 |
|---|---|
| Cosine metric | 0.8142 |
| Dice metric | 0.8142 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+316 more
