Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM76076
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76076 |
| SMILES |
CNC=C(CC=O)C(C)=O
|
| InChIKey |
BOZBCHSRIKQLDP-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52513
Similarity: 0.775
Similarity to MM52513
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8803 |
| Dice metric | 0.8732 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450587
Similarity: 0.6912
Similarity to MM450587
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.8174 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67443
Similarity: 0.6901
Similarity to MM67443
| Tanimoto metric | 0.6901 |
|---|---|
| Cosine metric | 0.8167 |
| Dice metric | 0.8167 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
