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DocumentationIdentifier: MM398833
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM398833 |
| SMILES |
CC1NC1C(=O)C#CC#N
|
| InChIKey |
FPKCPXNLIKAZBM-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
-0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM411962
Similarity: 0.8606
Similarity to MM411962
| Tanimoto metric | 0.8606 |
|---|---|
| Cosine metric | 0.9277 |
| Dice metric | 0.9251 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402812
Similarity: 0.7768
Similarity to MM402812
| Tanimoto metric | 0.7768 |
|---|---|
| Cosine metric | 0.8744 |
| Dice metric | 0.8744 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402890
Similarity: 0.7716
Similarity to MM402890
| Tanimoto metric | 0.7716 |
|---|---|
| Cosine metric | 0.8711 |
| Dice metric | 0.871 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+53 more
