Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM386233
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386233 |
| SMILES |
O=CNC(C=O)=CCCO
|
| InChIKey |
IGYXKXBILXVJDP-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51956
Similarity: 0.8087
Similarity to MM51956
| Tanimoto metric | 0.8087 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8942 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274440
Similarity: 0.6178
Similarity to MM274440
| Tanimoto metric | 0.6178 |
|---|---|
| Cosine metric | 0.7672 |
| Dice metric | 0.7638 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116555
Similarity: 0.6174
Similarity to MM116555
| Tanimoto metric | 0.6174 |
|---|---|
| Cosine metric | 0.7857 |
| Dice metric | 0.7634 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+115 more
