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DocumentationIdentifier: MM354776
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM354776 |
| SMILES |
CC=C(F)C(=O)NCC#N
|
| InChIKey |
AJHAOWXWHIVMHK-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162735
Similarity: 0.7803
Similarity to MM162735
| Tanimoto metric | 0.7803 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8766 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354775
Similarity: 0.7297
Similarity to MM354775
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8442 |
| Dice metric | 0.8438 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85654
Similarity: 0.6879
Similarity to MM85654
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8151 |
| Dice metric | 0.8151 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+134 more
