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DocumentationIdentifier: MM145723
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145723 |
| SMILES |
CC(C#N)NCC(O)C#N
|
| InChIKey |
YBXQDSZJYVRIGF-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: 0.8172
Similarity to MM266876
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.904 |
| Dice metric | 0.8994 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145651
Similarity: 0.7634
Similarity to MM145651
| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8738 |
| Dice metric | 0.8659 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246666
Similarity: 0.7525
Similarity to MM246666
| 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
|
+285 more
