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DocumentationIdentifier: MM318363
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318363 |
| SMILES |
C#CC(F)CNC(=N)CN
|
| InChIKey |
PJZFNQIJCKAKQM-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
MM144639
Similarity: 0.7672
Similarity to MM144639
| Tanimoto metric | 0.7672 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8683 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318361
Similarity: 0.6917
Similarity to MM318361
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.8178 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318595
Similarity: 0.6569
Similarity to MM318595
| Tanimoto metric | 0.6569 |
|---|---|
| Cosine metric | 0.7931 |
| Dice metric | 0.793 |
| MW: | 138.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+163 more
