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DocumentationIdentifier: MM221431
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221431 |
| SMILES |
CC(=CC(C)(C)O)NC=O
|
| InChIKey |
RXADRFBEIUVPND-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM267516
Similarity: 0.6579
Similarity to MM267516
| Tanimoto metric | 0.6579 |
|---|---|
| Cosine metric | 0.7938 |
| Dice metric | 0.7937 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267376
Similarity: 0.6536
Similarity to MM267376
| Tanimoto metric | 0.6536 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7905 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66001
Similarity: 0.6452
Similarity to MM66001
| Tanimoto metric | 0.6452 |
|---|---|
| Cosine metric | 0.7843 |
| Dice metric | 0.7843 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
