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DocumentationIdentifier: MM312006
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312006 |
| SMILES |
C#CC(N)(C#CCN)CF
|
| InChIKey |
FRGDFEVHKBHCNA-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
-0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM62323
Similarity: 0.6746
Similarity to MM62323
| Tanimoto metric | 0.6746 |
|---|---|
| Cosine metric | 0.8068 |
| Dice metric | 0.8057 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244256
Similarity: 0.6547
Similarity to MM244256
| Tanimoto metric | 0.6547 |
|---|---|
| Cosine metric | 0.7918 |
| Dice metric | 0.7913 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59250
Similarity: 0.6486
Similarity to MM59250
| Tanimoto metric | 0.6486 |
|---|---|
| Cosine metric | 0.8054 |
| Dice metric | 0.7869 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+148 more
