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DocumentationIdentifier: MM222211
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222211 |
| SMILES |
CC(=O)CC(C)(C)C(C)=O
|
| InChIKey |
CRVBWHZZWOZRCY-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
MM229323
Similarity: 0.79
Similarity to MM229323
| Tanimoto metric | 0.79 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8827 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132723
Similarity: 0.75
Similarity to MM132723
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233385
Similarity: 0.7453
Similarity to MM233385
| Tanimoto metric | 0.7453 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8541 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
