Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM15789
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15789 |
| SMILES |
C=CC(=C)C(=O)CC(C)=O
|
| InChIKey |
CLFXDBKYQNACKN-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173845
Similarity: 0.7692
Similarity to MM173845
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246795
Similarity: 0.7459
Similarity to MM246795
| Tanimoto metric | 0.7459 |
|---|---|
| Cosine metric | 0.8586 |
| Dice metric | 0.8545 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
5-methylhex-5-ene-2,4-dione
Similarity: 0.7436
Similarity to 5-methylhex-5-ene-2,4-dione
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
