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DocumentationIdentifier: MM89099
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89099 |
| SMILES |
CN=CNC(C)CC#N
|
| InChIKey |
VMEUVCQPKDROBA-UHFFFAOYSA-N
|
| MW [Da] |
125.18
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24420
Similarity: 0.7327
Similarity to MM24420
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8457 |
| MW: | 136.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61417
Similarity: 0.6789
Similarity to MM61417
| Tanimoto metric | 0.6789 |
|---|---|
| Cosine metric | 0.824 |
| Dice metric | 0.8087 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125844
Similarity: 0.6622
Similarity to MM125844
| Tanimoto metric | 0.6622 |
|---|---|
| Cosine metric | 0.8137 |
| Dice metric | 0.7967 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+161 more
