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DocumentationIdentifier: MM433981
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM433981 |
| SMILES |
N#CCOCC(=O)O
|
| InChIKey |
MBYBMQAKTSFTJP-UHFFFAOYSA-N
|
| MW [Da] |
115.09
Automatically obtained from RDkit software. |
| LogP |
-0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.7794 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.876 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.717 |
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| Cosine metric | 0.8467 |
| Dice metric | 0.8352 |
| MW: | 104.11 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Similarity to MM69489
| Tanimoto metric | 0.6974 |
|---|---|
| Cosine metric | 0.8351 |
| Dice metric | 0.8217 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+113 more
