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DocumentationIdentifier: MM456598
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456598 |
| SMILES |
N#CCCNC=NC=CF
|
| InChIKey |
FIDLWARVBDXYNB-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM88682
Similarity: 0.8267
Similarity to MM88682
| Tanimoto metric | 0.8267 |
|---|---|
| Cosine metric | 0.9092 |
| Dice metric | 0.9051 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456596
Similarity: 0.7294
Similarity to MM456596
| Tanimoto metric | 0.7294 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.8435 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456592
Similarity: 0.7093
Similarity to MM456592
| Tanimoto metric | 0.7093 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.8299 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+103 more
