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DocumentationIdentifier: MM45770
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45770 |
| SMILES |
N#CCCC(O)CC=O
|
| InChIKey |
JMYLUDDPVKTCHX-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
0.24
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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MM107193
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| Tanimoto metric | 0.7164 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8348 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM261633
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| Tanimoto metric | 0.6907 |
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| Cosine metric | 0.8311 |
| Dice metric | 0.8171 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM292718
Similarity: 0.6907
Similarity to MM292718
| Tanimoto metric | 0.6907 |
|---|---|
| Cosine metric | 0.8311 |
| Dice metric | 0.8171 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+312 more
