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DocumentationIdentifier: MM329083
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329083 |
| SMILES |
C#CC(=N)NC(CN)CF
|
| InChIKey |
WKNBFIGJBHFDSE-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
MM71587
Similarity: 0.7054
Similarity to MM71587
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8399 |
| Dice metric | 0.8273 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81452
Similarity: 0.6899
Similarity to MM81452
| Tanimoto metric | 0.6899 |
|---|---|
| Cosine metric | 0.8306 |
| Dice metric | 0.8165 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329079
Similarity: 0.6544
Similarity to MM329079
| Tanimoto metric | 0.6544 |
|---|---|
| Cosine metric | 0.7998 |
| Dice metric | 0.7911 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
