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DocumentationIdentifier: MM84711
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84711 |
| SMILES |
C#CCOC(C)C(=O)OC
|
| InChIKey |
JWBIJGCMAURQHW-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172423
Similarity: 0.8174
Similarity to MM172423
| Tanimoto metric | 0.8174 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-prop-2-ynoxypropanoic Acid
Similarity: 0.7739
Similarity to 2-prop-2-ynoxypropanoic Acid
| Tanimoto metric | 0.7739 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.8725 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350708
Similarity: 0.7007
Similarity to MM350708
| Tanimoto metric | 0.7007 |
|---|---|
| Cosine metric | 0.8241 |
| Dice metric | 0.824 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+155 more
