Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM352633
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352633 |
| SMILES |
CC=CCC(O)C(N)CO
|
| InChIKey |
IBIGQSOUDIHAQG-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162801
Similarity: 0.7652
Similarity to MM162801
| Tanimoto metric | 0.7652 |
|---|---|
| Cosine metric | 0.8748 |
| Dice metric | 0.867 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352631
Similarity: 0.6547
Similarity to MM352631
| Tanimoto metric | 0.6547 |
|---|---|
| Cosine metric | 0.7913 |
| Dice metric | 0.7913 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352840
Similarity: 0.6423
Similarity to MM352840
| Tanimoto metric | 0.6423 |
|---|---|
| Cosine metric | 0.7824 |
| Dice metric | 0.7822 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+320 more
