Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM86927
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM86927 |
| SMILES |
CNC(=O)C(C=O)=CC=O
|
| InChIKey |
CBLYADZKLZZQGG-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM384421
Similarity: 0.7
Similarity to MM384421
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8239 |
| Dice metric | 0.8235 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384523
Similarity: 0.6918
Similarity to MM384523
| Tanimoto metric | 0.6918 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8178 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52787
Similarity: 0.6818
Similarity to MM52787
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8257 |
| Dice metric | 0.8108 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+54 more
