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DocumentationIdentifier: MM246666
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246666 |
| SMILES |
CC(O)CNC(C#N)C#N
|
| InChIKey |
DMVYHUWJJHHOHY-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM266876
Similarity: 0.9048
Similarity to MM266876
| Tanimoto metric | 0.9048 |
|---|---|
| Cosine metric | 0.9512 |
| Dice metric | 0.95 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145723
Similarity: 0.7525
Similarity to MM145723
| Tanimoto metric | 0.7525 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8588 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44698
Similarity: 0.7379
Similarity to MM44698
| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8492 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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