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DocumentationIdentifier: MM104643
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104643 |
| SMILES |
C=CC(=O)CC(=N)N
|
| InChIKey |
LAXJJJOVLVOJJB-UHFFFAOYSA-N
|
| MW [Da] |
112.13
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135856
Similarity: 0.7476
Similarity to MM135856
| Tanimoto metric | 0.7476 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8556 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87661
Similarity: 0.7264
Similarity to MM87661
| Tanimoto metric | 0.7264 |
|---|---|
| Cosine metric | 0.8523 |
| Dice metric | 0.8415 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223402
Similarity: 0.6754
Similarity to MM223402
| Tanimoto metric | 0.6754 |
|---|---|
| Cosine metric | 0.8219 |
| Dice metric | 0.8063 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+48 more
