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DocumentationIdentifier: MM373157
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373157 |
| SMILES |
CCCC=CCC(=O)NC
|
| InChIKey |
FDMBWTSJPNACQI-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.48
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 | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM84972
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Similarity to MM84972
| Tanimoto metric | 0.8372 |
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| Cosine metric | 0.9121 |
| Dice metric | 0.9114 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM373543
Similarity: 0.7912
Similarity to MM373543
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8834 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+453 more
