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DocumentationIdentifier: MM161398
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161398 |
| SMILES |
CC=C(C)C(O)C(C)=O
|
| InChIKey |
AKUMEUHXDDRELB-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM74804
Similarity: 0.8067
Similarity to MM74804
| Tanimoto metric | 0.8067 |
|---|---|
| Cosine metric | 0.8981 |
| Dice metric | 0.893 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82893
Similarity: 0.7516
Similarity to MM82893
| Tanimoto metric | 0.7516 |
|---|---|
| Cosine metric | 0.8669 |
| Dice metric | 0.8582 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299480
Similarity: 0.7202
Similarity to MM299480
| Tanimoto metric | 0.7202 |
|---|---|
| Cosine metric | 0.8487 |
| Dice metric | 0.8374 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
