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DocumentationIdentifier: MM33141
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM33141 |
| SMILES |
C=C(C=O)OC(C)=O
|
| InChIKey |
KZXGVPUVGLDUOT-UHFFFAOYSA-N
|
| MW [Da] |
114.1
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142842
Similarity: 0.7347
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| Tanimoto metric | 0.7347 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8471 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM142769
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| Tanimoto metric | 0.7347 |
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| Cosine metric | 0.8571 |
| Dice metric | 0.8471 |
| MW: | 130.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM142767
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| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
