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DocumentationIdentifier: MM88838
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88838 |
| SMILES |
C=C(CC)NC(=N)CO
|
| InChIKey |
IUFRVBFHCATIRM-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM263387
Similarity: 0.8359
Similarity to MM263387
| Tanimoto metric | 0.8359 |
|---|---|
| Cosine metric | 0.9143 |
| Dice metric | 0.9106 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263095
Similarity: 0.8295
Similarity to MM263095
| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9107 |
| Dice metric | 0.9068 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246282
Similarity: 0.8168
Similarity to MM246282
| Tanimoto metric | 0.8168 |
|---|---|
| Cosine metric | 0.9038 |
| Dice metric | 0.8992 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+466 more
