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DocumentationIdentifier: MM341018
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM341018 |
| SMILES |
C=C(F)CNC(C#N)CC
|
| InChIKey |
CGNOPHVUOCFVLV-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144480
Similarity: 0.7168
Similarity to MM144480
| Tanimoto metric | 0.7168 |
|---|---|
| Cosine metric | 0.8466 |
| Dice metric | 0.8351 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198977
Similarity: 0.6814
Similarity to MM198977
| Tanimoto metric | 0.6814 |
|---|---|
| Cosine metric | 0.8255 |
| Dice metric | 0.8105 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43425
Similarity: 0.6391
Similarity to MM43425
| Tanimoto metric | 0.6391 |
|---|---|
| Cosine metric | 0.7803 |
| Dice metric | 0.7798 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
