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DocumentationIdentifier: MM227028
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227028 |
| SMILES |
CC(C)(C#N)NC(=N)CO
|
| InChIKey |
OJJDOFODCKMVGP-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM82976
Similarity: 0.7414
Similarity to MM82976
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8515 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130170
Similarity: 0.6379
Similarity to MM130170
| Tanimoto metric | 0.6379 |
|---|---|
| Cosine metric | 0.7987 |
| Dice metric | 0.7789 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329297
Similarity: 0.625
Similarity to MM329297
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7707 |
| Dice metric | 0.7692 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+299 more
