Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM255753
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM255753 |
| SMILES |
CC(=O)C#CC(C)C(C)=O
|
| InChIKey |
NLESGEVWIUJRNN-UHFFFAOYSA-N
|
| MW [Da] |
138.17
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
MM345020
Similarity: 0.82
Similarity to MM345020
| Tanimoto metric | 0.82 |
|---|---|
| Cosine metric | 0.9012 |
| Dice metric | 0.9011 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163550
Similarity: 0.8043
Similarity to MM163550
| Tanimoto metric | 0.8043 |
|---|---|
| Cosine metric | 0.8969 |
| Dice metric | 0.8916 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293960
Similarity: 0.7551
Similarity to MM293960
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.8626 |
| Dice metric | 0.8605 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+373 more
