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DocumentationIdentifier: MM251249
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251249 |
| SMILES |
C=C(C)CNC(=N)CC#N
|
| InChIKey |
POHBORTYCHKORM-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM64001
Similarity: 0.783
Similarity to MM64001
| Tanimoto metric | 0.783 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8783 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144934
Similarity: 0.7736
Similarity to MM144934
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.8723 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69110
Similarity: 0.6789
Similarity to MM69110
| Tanimoto metric | 0.6789 |
|---|---|
| Cosine metric | 0.8191 |
| Dice metric | 0.8087 |
| MW: | 136.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+379 more
