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DocumentationIdentifier: MM360242
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360242 |
| SMILES |
CC(=NCCF)NCC#N
|
| InChIKey |
VLTAWDWQDDLVLF-UHFFFAOYSA-N
|
| MW [Da] |
143.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM69486
Similarity: 0.7979
Similarity to MM69486
| Tanimoto metric | 0.7979 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8876 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49817
Similarity: 0.6637
Similarity to MM49817
| Tanimoto metric | 0.6637 |
|---|---|
| Cosine metric | 0.7979 |
| Dice metric | 0.7979 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158794
Similarity: 0.6634
Similarity to MM158794
| Tanimoto metric | 0.6634 |
|---|---|
| Cosine metric | 0.8033 |
| Dice metric | 0.7976 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
