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DocumentationIdentifier: MM265861
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM265861 |
| SMILES |
CC(=CCN)NC(=N)CO
|
| InChIKey |
AHBUEPPQTSLQDA-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM88218
Similarity: 0.8203
Similarity to MM88218
| Tanimoto metric | 0.8203 |
|---|---|
| Cosine metric | 0.9057 |
| Dice metric | 0.9013 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265862
Similarity: 0.7143
Similarity to MM265862
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8334 |
| Dice metric | 0.8333 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94247
Similarity: 0.7
Similarity to MM94247
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8235 |
| Dice metric | 0.8235 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+443 more
