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DocumentationIdentifier: MM69283
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69283 |
| SMILES |
C=C(CF)NC=NCCN
|
| InChIKey |
UVIUKTHEJRDGQY-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.05
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: 0.875
Similarity to MM168545
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113638
Similarity: 0.7386
Similarity to MM113638
| Tanimoto metric | 0.7386 |
|---|---|
| Cosine metric | 0.8594 |
| Dice metric | 0.8497 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84006
Similarity: 0.6809
Similarity to MM84006
| Tanimoto metric | 0.6809 |
|---|---|
| Cosine metric | 0.8154 |
| Dice metric | 0.8101 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+385 more
