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DocumentationIdentifier: MM244546
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244546 |
| SMILES |
C#CC(C)(C(C)=O)C(C)=O
|
| InChIKey |
USTUYKNXEVEZTQ-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
MM313863
Similarity: 0.8814
Similarity to MM313863
| Tanimoto metric | 0.8814 |
|---|---|
| Cosine metric | 0.9373 |
| Dice metric | 0.9369 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
3-ethynylpentane-2,4-dione
Similarity: 0.7222
Similarity to 3-ethynylpentane-2,4-dione
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78432
Similarity: 0.7016
Similarity to MM78432
| Tanimoto metric | 0.7016 |
|---|---|
| Cosine metric | 0.8249 |
| Dice metric | 0.8246 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+184 more
