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DocumentationIdentifier: MM113638
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113638 |
| SMILES |
C=C(CF)NC=NC
|
| InChIKey |
DOPNMTMZGFVBFL-UHFFFAOYSA-N
|
| MW [Da] |
116.14
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168545
Similarity: 0.8442
Similarity to MM168545
| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9188 |
| Dice metric | 0.9155 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90266
Similarity: 0.7846
Similarity to MM90266
| Tanimoto metric | 0.7846 |
|---|---|
| Cosine metric | 0.8858 |
| Dice metric | 0.8793 |
| MW: | 102.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69283
Similarity: 0.7386
Similarity to MM69283
| Tanimoto metric | 0.7386 |
|---|---|
| Cosine metric | 0.8594 |
| Dice metric | 0.8497 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+316 more
