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DocumentationIdentifier: MM57433
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57433 |
| SMILES |
CC(=O)CC(C)CC(C)=O
|
| InChIKey |
NZTWSVDUWQKAPI-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135166
Similarity: 0.9016
Similarity to MM135166
| Tanimoto metric | 0.9016 |
|---|---|
| Cosine metric | 0.9495 |
| Dice metric | 0.9483 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262013
Similarity: 0.8429
Similarity to MM262013
| Tanimoto metric | 0.8429 |
|---|---|
| Cosine metric | 0.9161 |
| Dice metric | 0.9147 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340812
Similarity: 0.7432
Similarity to MM340812
| Tanimoto metric | 0.7432 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8527 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
