Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM345020
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345020 |
| SMILES |
CCC(C#CC(C)=O)C=O
|
| InChIKey |
QIRPFVQWBXRWGS-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
MM255753
Similarity: 0.82
Similarity to MM255753
| 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
|
MM201269
Similarity: 0.7778
Similarity to MM201269
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201229
Similarity: 0.7333
Similarity to MM201229
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+376 more
