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DocumentationIdentifier: MM377104
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377104 |
| SMILES |
C#CC(NC=N)C(N)CF
|
| InChIKey |
DKPXHXSITRZOJE-UHFFFAOYSA-N
|
| MW [Da] |
143.17
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178085
Similarity: 0.6522
Similarity to MM178085
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.7895 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377102
Similarity: 0.6048
Similarity to MM377102
| Tanimoto metric | 0.6048 |
|---|---|
| Cosine metric | 0.7541 |
| Dice metric | 0.7537 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74242
Similarity: 0.5952
Similarity to MM74242
| Tanimoto metric | 0.5952 |
|---|---|
| Cosine metric | 0.7466 |
| Dice metric | 0.7463 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
