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DocumentationIdentifier: MM253512
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253512 |
| SMILES |
N=C(N)CC=C(F)CCN
|
| InChIKey |
MJKWFKRKQZNESK-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146623
Similarity: 0.9184
Similarity to MM146623
| Tanimoto metric | 0.9184 |
|---|---|
| Cosine metric | 0.9583 |
| Dice metric | 0.9574 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253569
Similarity: 0.7965
Similarity to MM253569
| Tanimoto metric | 0.7965 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8867 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253511
Similarity: 0.7965
Similarity to MM253511
| Tanimoto metric | 0.7965 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8867 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+487 more
