Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM395026
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM395026 |
| SMILES |
CC=CCC(=CN)C(C)=O
|
| InChIKey |
BANIAVXRMXPVJO-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180436
Similarity: 0.8276
Similarity to MM180436
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163000
Similarity: 0.7241
Similarity to MM163000
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304912
Similarity: 0.6563
Similarity to MM304912
| Tanimoto metric | 0.6563 |
|---|---|
| Cosine metric | 0.796 |
| Dice metric | 0.7925 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+262 more
