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DocumentationIdentifier: MM438962
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM438962 |
| SMILES |
CCC(C)C1NC1C=O
|
| InChIKey |
QIFDMWVOMCEDDJ-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM437687
Similarity: 0.9363
Similarity to MM437687
| Tanimoto metric | 0.9363 |
|---|---|
| Cosine metric | 0.9676 |
| Dice metric | 0.9671 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM422958
Similarity: 0.8167
Similarity to MM422958
| Tanimoto metric | 0.8167 |
|---|---|
| Cosine metric | 0.9037 |
| Dice metric | 0.8991 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM336608
Similarity: 0.7696
Similarity to MM336608
| Tanimoto metric | 0.7696 |
|---|---|
| Cosine metric | 0.8773 |
| Dice metric | 0.8698 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
