Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM91907
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91907 |
| SMILES |
C#CC(=O)NCC=CC=O
|
| InChIKey |
LXTFDDQAGWRARQ-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370048
Similarity: 0.7895
Similarity to MM370048
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8824 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91908
Similarity: 0.7282
Similarity to MM91908
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8427 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36586
Similarity: 0.7241
Similarity to MM36586
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+267 more
